ContaminantDB: [3-[6,8,17,19-tetraoxo-18-(3-thiocyanatophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenyl] thiocyanate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (25)XML

Record Information

Version

1.0

Creation Date

2026-08-22 12:06:48 UTC

Update Date

2026-08-22 12:06:48 UTC

Accession Number

CHEM214652

Identification

Common Name

[3-[6,8,17,19-tetraoxo-18-(3-thiocyanatophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenyl] thiocyanate

Class

Small Molecule

Description

[3-[6,8,17,19-tetraoxo-18-(3-thiocyanatophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenyl] thiocyanate belongs to the phenanthrenes and derivatives, a class of benzenoids within the organic compounds. With an average molecular weight of 656.70 g/mol, [3-[6,8,17,19-tetraoxo-18-(3-thiocyanatophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenyl] thiocyanate is a heavy molecule. Its chemical formula is C38H16N4O4S2.

Contaminant Sources

Not Available

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₈H₁₆N₄O₄S₂

Average Molecular Mass

656.700 g/mol

Monoisotopic Mass

656.061 g/mol

CAS Registry Number

67923-45-9

IUPAC Name

[3-[6,8,17,19-tetraoxo-18-(3-thiocyanatophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenyl] thiocyanate

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C38H16N4O4S2/c39-17-47-21-5-1-3-19(15-21)41-35(43)27-11-7-23-25-9-13-29-34-30(38(46)42(37(29)45)20-4-2-6-22(16-20)48-18-40)14-10-26(32(25)34)24-8-12-28(36(41)44)33(27)31(23)24/h1-16H

InChI Key

AXMXHZAKIVTXGG-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	View

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

Identifiers

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

[3-[6,8,17,19-tetraoxo-18-(3-thiocyanatophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenyl] thiocyanate (CHEM214652)

Structure for CHEM214652: [3-[6,8,17,19-tetraoxo-18-(3-thiocyanatophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenyl] thiocyanate