2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile

C65H39N7 — CID 139523829

IUPAC2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)c(-c2cnccc2-n2c3ccccc3c3ccccc32)cc(-c2cnccc2-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C65H39N7/c66-38-51-64(71-58-29-13-5-21-45(58)46-22-6-14-30-59(46)71)49(52-39-67-35-33-62(52)69-54-25-9-1-17-41(54)42-18-2-10-26-55(42)69)37-50(65(51)72-60-31-15-7-23-47(60)48-24-8-16-32-61(48)72)53-40-68-36-34-63(53)70-56-27-11-3-19-43(56)44-20-4-12-28-57(44)70/h1-37,39-40H
InChIKeyJEJFWGIJIWTODK-UHFFFAOYSA-N
MW918.08 g/mol
LogP16.07
Rot. Bonds6

About 2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile

2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile (PubChem CID 139523829) has the molecular formula C65H39N7 and a molecular weight of 918.08 g/mol. Its IUPAC name is 2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile
PubChem CID139523829
Molecular FormulaC65H39N7
Molecular Weight918.08 g/mol
Exact Mass917.33
IUPAC Name2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)c(-c2cnccc2-n2c3ccccc3c3ccccc32)cc(-c2cnccc2-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C65H39N7/c66-38-51-64(71-58-29-13-5-21-45(58)46-22-6-14-30-59(46)71)49(52-39-67-35-33-62(52)69-54-25-9-1-17-41(54)42-18-2-10-26-55(42)69)37-50(65(51)72-60-31-15-7-23-47(60)48-24-8-16-32-61(48)72)53-40-68-36-34-63(53)70-56-27-11-3-19-43(56)44-20-4-12-28-57(44)70/h1-37,39-40H
InChIKeyJEJFWGIJIWTODK-UHFFFAOYSA-N
XLogP16.07
TPSA69.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.08
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile 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

2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile
CID 139523629
4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile
CID 146409612
2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile
CID 139507191
3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile
CID 139523628
2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile
CID 129312874
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495084
9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542601
3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495034
3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile
CID 138675530
4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile
CID 146187161
2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile
CID 139523878
2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile
CID 162614133

Frequently Asked Questions

What is the IUPAC name of 2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile?
The IUPAC name of 2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile (CID 139523829) is 2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile.
What is the SMILES notation for 2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile?
The canonical SMILES for 2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)c(-c2cnccc2-n2c3ccccc3c3ccccc32)cc(-c2cnccc2-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile?
The InChIKey is JEJFWGIJIWTODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N7/c66-38-51-64(71-58-29-13-5-21-45(58)46-22-6-14-30-59(46)71)49(52-39-67-35-33-62(52)69-54-25-9-1-17-41(54)42-18-2-10-26-55(42)69)37-50(65(51)72-60-31-15-7-23-47(60)48-24-8-16-32-61(48)72)53-40-68-36-34-63(53)70-56-27-11-3-19-43(56)44-20-4-12-28-57(44)70/h1-37,39-40H.
What are the key properties of 2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile?
2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile has a molecular weight of 918.08 g/mol, XLogP of 16.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile is sourced from PubChem (CID 139523829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).