9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile

C38H20N6 — CID 134292628

IUPAC9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc(C#N)cc32)c(-c2ccncc2)c(-n2c3ccccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C38H20N6/c39-21-24-9-11-30-28-5-1-3-7-32(28)43(34(30)17-24)36-19-26(23-41)20-37(38(36)27-13-15-42-16-14-27)44-33-8-4-2-6-29(33)31-12-10-25(22-40)18-35(31)44/h1-20H
InChIKeyAFWLDNHRTDLMQF-UHFFFAOYSA-N
MW560.62 g/mol
LogP8.56
Rot. Bonds3

About 9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile

9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile (PubChem CID 134292628) has the molecular formula C38H20N6 and a molecular weight of 560.62 g/mol. Its IUPAC name is 9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile
PubChem CID134292628
Molecular FormulaC38H20N6
Molecular Weight560.62 g/mol
Exact Mass560.17
IUPAC Name9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc(C#N)cc32)c(-c2ccncc2)c(-n2c3ccccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C38H20N6/c39-21-24-9-11-30-28-5-1-3-7-32(28)43(34(30)17-24)36-19-26(23-41)20-37(38(36)27-13-15-42-16-14-27)44-33-8-4-2-6-29(33)31-12-10-25(22-40)18-35(31)44/h1-20H
InChIKeyAFWLDNHRTDLMQF-UHFFFAOYSA-N
XLogP8.56
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.62
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile
CID 134292629
3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134296240
3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 161207738
3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134302096
3,5-bis(2,7-ditert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134296232
9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile
CID 155218027
4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile
CID 146187161
3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296253
4-[3,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 142452373
3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile
CID 139523628
3,5-bis[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;5-[9-[5-cyano-3-[3-(3-cyano-5-isocyanophenyl)-6-(3,5-diisocyanophenyl)carbazol-9-yl]-2-pyridin-4-ylphenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 160522241
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile
CID 164744019

Frequently Asked Questions

What is the IUPAC name of 9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile (CID 134292628) is 9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile is N#Cc1cc(-n2c3ccccc3c3ccc(C#N)cc32)c(-c2ccncc2)c(-n2c3ccccc3c3ccc(C#N)cc32)c1.
What is the InChIKey of 9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile?
The InChIKey is AFWLDNHRTDLMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N6/c39-21-24-9-11-30-28-5-1-3-7-32(28)43(34(30)17-24)36-19-26(23-41)20-37(38(36)27-13-15-42-16-14-27)44-33-8-4-2-6-29(33)31-12-10-25(22-40)18-35(31)44/h1-20H.
What are the key properties of 9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile?
9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile has a molecular weight of 560.62 g/mol, XLogP of 8.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 134292628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).