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Showing structure for CHEM044968: tricyclopentylphosphine
4463278 -OEChem-10101916053D 43 45 0 0 0 0 0 0 0999 V2000 0.2793 -0.0063 -0.9105 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -1.6039 -0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -0.0809 0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7503 1.1484 0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 -1.7148 1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8338 -1.8659 -1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6754 -1.2823 -0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6929 1.1455 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 2.6095 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2137 1.1727 -0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9537 -2.7601 1.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8153 -2.3765 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0342 -0.8398 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 0.6053 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5539 3.3900 0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7559 2.4590 0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1762 -2.4154 -0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4738 -0.1453 1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6748 0.9487 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 -0.8284 1.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0094 -2.0386 1.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6681 -2.6595 -1.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2491 -1.0301 -1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -1.4902 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3374 -2.1957 0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 1.7769 0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4711 1.7775 -0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1534 2.8683 -1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5514 2.8722 0.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 0.3368 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3244 1.2231 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5152 -2.7548 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5326 -3.7626 0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3961 -3.2287 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5335 -1.6019 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8507 -1.4517 -0.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0612 -0.8918 1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8296 1.1893 0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4497 0.6422 -1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 4.3230 -0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4272 3.6538 1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1997 2.2560 1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5357 2.9041 -0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 17 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 18 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 12 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 13 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 14 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 15 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 16 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 4463278 > <PUBCHEM_CONFORMER_RMSD> 0.8 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 8 2 6 3 4 5 7 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 4 1 -0.5 2 0.17 3 0.17 4 0.17 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 6 > <PUBCHEM_PHARMACOPHORE_FEATURES> 3 5 2 5 6 11 12 rings 5 3 7 8 13 14 rings 5 4 9 10 15 16 rings > <PUBCHEM_HEAVY_ATOM_COUNT> 16 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 0 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_DEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> 0 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> 0 > <PUBCHEM_COMPONENT_COUNT> 1 > <PUBCHEM_CACTVS_TAUTO_COUNT> 1 > <PUBCHEM_CONFORMER_ID> 00441AAE00000001 > <PUBCHEM_MMFF94_ENERGY> 34.2207 > <PUBCHEM_FEATURE_SELFOVERLAP> 15.223 > <PUBCHEM_SHAPE_FINGERPRINT> 104564 63 18339651143185333406 10616163 171 18411983559649266302 108231 29 17829328330359591450 10922049 32 18051981320163222033 11357001 24 18409449189061844251 11578080 2 16987415698260187003 11680986 33 18124584534362978241 12532896 13 18265897943092802671 12553582 1 18051695739546332478 12788726 201 18408317808798032555 13140716 1 18339922718273405136 13380535 76 18198056980668982582 13538477 17 18334288739372820296 136203 1 18410576179953625147 14178342 30 18335967698245174906 14787075 74 18272363123542225461 14790565 3 17112141196639936533 14817 1 11519194312179180531 15042514 8 18409733932698480225 15309172 13 18048037372076215520 15442244 35 18265045839415396538 15502708 68 17617659860558031260 15906896 17 18340765949033563863 16945 1 18268711606285807526 17841504 4 17687753048556494291 19591789 44 17472981697107285390 20097449 115 18122628524308622715 20510252 161 18411699902269954610 20645476 183 18192168005191942044 20871998 184 18272374191160731454 21029758 11 18194673989712614087 21041028 32 18121227734074281355 21061003 4 17903080267346978883 21296965 67 18194962070037893399 21501502 16 18407757032757283182 21524375 3 18052251804318830157 21731228 192 18124041117572458369 2306618 200 17989210351826462818 23175994 123 18192151722907846327 23402539 116 18271795814222716791 23419403 2 17416104295751852617 23526113 38 17829863766715669199 23557571 272 18342468066633276740 23558518 356 18336829693243209126 23559900 14 18339912788783718336 23598294 1 18410574015559263202 257057 1 18124029298080727567 2748010 2 18126270076913684604 298252 57 16842737349640615252 305870 269 17688591563268560141 3091708 16 8987198597219134025 3250762 1 18127426556950979278 352729 6 18341051813509088004 43471831 8 17832144918309234641 474229 33 18339644417694185897 5104073 3 18337657665166116986 54173680 148 18410012151905357548 58807428 26 17906173953675304297 6138700 20 17044019291662473918 6438718 38 18131356314803571679 69090 78 18338232639851878344 7364860 26 17329429957063751163 81228 2 18336260219060255440 81539 233 17687748238034847885 9709674 26 18271806770668704902 > <PUBCHEM_SHAPE_MULTIPOLES> 333.12 5.72 3.92 0.95 6.58 1.46 -0.03 -0.51 0.34 -4.31 0.67 -0.35 -0.44 -0.14 > <PUBCHEM_SHAPE_SELFOVERLAP> 660.938 > <PUBCHEM_SHAPE_VOLUME> 201 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CHEM044968: tricyclopentylphosphine
