3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile

C60H38N4 — CID 134296240

IUPAC3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c(-c2ccncc2)c(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c1
InChIInChI=1S/C60H38N4/c61-39-40-33-58(63-54-35-46(41-13-5-1-6-14-41)21-25-50(54)51-26-22-47(36-55(51)63)42-15-7-2-8-16-42)60(45-29-31-62-32-30-45)59(34-40)64-56-37-48(43-17-9-3-10-18-43)23-27-52(56)53-28-24-49(38-57(53)64)44-19-11-4-12-20-44/h1-38H
InChIKeyJULFHWWWQYZYLI-UHFFFAOYSA-N
MW814.99 g/mol
LogP15.48
Rot. Bonds7

About 3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile

3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile (PubChem CID 134296240) has the molecular formula C60H38N4 and a molecular weight of 814.99 g/mol. Its IUPAC name is 3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
PubChem CID134296240
Molecular FormulaC60H38N4
Molecular Weight814.99 g/mol
Exact Mass814.31
IUPAC Name3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c(-c2ccncc2)c(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c1
InChIInChI=1S/C60H38N4/c61-39-40-33-58(63-54-35-46(41-13-5-1-6-14-41)21-25-50(54)51-26-22-47(36-55(51)63)42-15-7-2-8-16-42)60(45-29-31-62-32-30-45)59(34-40)64-56-37-48(43-17-9-3-10-18-43)23-27-52(56)53-28-24-49(38-57(53)64)44-19-11-4-12-20-44/h1-38H
InChIKeyJULFHWWWQYZYLI-UHFFFAOYSA-N
XLogP15.48
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile 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

3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134302096
9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile
CID 134292629
9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile
CID 134292628
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-ditert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134296232
3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134302206
4-[3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546476
3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296253
4-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[3,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159435033
5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile
CID 139538817
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546484
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

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile?
The IUPAC name of 3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile (CID 134296240) is 3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile?
The canonical SMILES for 3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile is N#Cc1cc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c(-c2ccncc2)c(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c1.
What is the InChIKey of 3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile?
The InChIKey is JULFHWWWQYZYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4/c61-39-40-33-58(63-54-35-46(41-13-5-1-6-14-41)21-25-50(54)51-26-22-47(36-55(51)63)42-15-7-2-8-16-42)60(45-29-31-62-32-30-45)59(34-40)64-56-37-48(43-17-9-3-10-18-43)23-27-52(56)53-28-24-49(38-57(53)64)44-19-11-4-12-20-44/h1-38H.
What are the key properties of 3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile?
3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile has a molecular weight of 814.99 g/mol, XLogP of 15.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134296240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).