5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile

C46H27N5 — CID 155086606

IUPAC5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile
SMILESN#CC1=Cc2c(n(-c3cc(-c4ccccc4-c4ccccc4-n4c5ccccc5c5ccc(C#N)cc54)ccc3C#N)c3ccccc23)C=CC1
InChIInChI=1S/C46H27N5/c47-27-30-10-9-19-44-40(24-30)38-15-5-8-18-43(38)50(44)45-26-32(21-22-33(45)29-49)34-11-1-2-12-35(34)36-13-3-6-16-41(36)51-42-17-7-4-14-37(42)39-23-20-31(28-48)25-46(39)51/h1-9,11-26H,10H2
InChIKeyXMPXEZHWFCGFMN-UHFFFAOYSA-N
MW649.76 g/mol
LogP11.13
Rot. Bonds4

About 5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile

5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile (PubChem CID 155086606) has the molecular formula C46H27N5 and a molecular weight of 649.76 g/mol. Its IUPAC name is 5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile.

Molecular Properties

Compound Name5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile
PubChem CID155086606
Molecular FormulaC46H27N5
Molecular Weight649.76 g/mol
Exact Mass649.23
IUPAC Name5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile
SMILESN#CC1=Cc2c(n(-c3cc(-c4ccccc4-c4ccccc4-n4c5ccccc5c5ccc(C#N)cc54)ccc3C#N)c3ccccc23)C=CC1
InChIInChI=1S/C46H27N5/c47-27-30-10-9-19-44-40(24-30)38-15-5-8-18-43(38)50(44)45-26-32(21-22-33(45)29-49)34-11-1-2-12-35(34)36-13-3-6-16-41(36)51-42-17-7-4-14-37(42)39-23-20-31(28-48)25-46(39)51/h1-9,11-26H,10H2
InChIKeyXMPXEZHWFCGFMN-UHFFFAOYSA-N
XLogP11.13
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.76
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080141
9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958901
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 155081299
3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 167280385
9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155604852
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080077
9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 167403949
9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155080542
9-[2-[2-cyano-5-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080988
9-[4-[4-cyano-3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080950
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155080742
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155081617

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile?
The IUPAC name of 5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile (CID 155086606) is 5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile.
What is the SMILES notation for 5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile?
The canonical SMILES for 5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile is N#CC1=Cc2c(n(-c3cc(-c4ccccc4-c4ccccc4-n4c5ccccc5c5ccc(C#N)cc54)ccc3C#N)c3ccccc23)C=CC1.
What is the InChIKey of 5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile?
The InChIKey is XMPXEZHWFCGFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5/c47-27-30-10-9-19-44-40(24-30)38-15-5-8-18-43(38)50(44)45-26-32(21-22-33(45)29-49)34-11-1-2-12-35(34)36-13-3-6-16-41(36)51-42-17-7-4-14-37(42)39-23-20-31(28-48)25-46(39)51/h1-9,11-26H,10H2.
What are the key properties of 5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile?
5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile has a molecular weight of 649.76 g/mol, XLogP of 11.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile is sourced from PubChem (CID 155086606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).