2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

C60H38N4 — CID 134296418

IUPAC2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c(-c4ccccc4-c4ccccc4)cccc32)c(-c2ccncc2)cc1-n1c2ccccc2c2c(-c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C60H38N4/c61-39-43-37-58(64-54-30-14-12-26-51(54)60-49(28-16-32-56(60)64)47-24-10-8-22-45(47)41-19-5-2-6-20-41)52(42-33-35-62-36-34-42)38-57(43)63-53-29-13-11-25-50(53)59-48(27-15-31-55(59)63)46-23-9-7-21-44(46)40-17-3-1-4-18-40/h1-38H
InChIKeyRWIBZBSHTJSOGC-UHFFFAOYSA-N
MW814.99 g/mol
LogP15.48
Rot. Bonds7

About 2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (PubChem CID 134296418) has the molecular formula C60H38N4 and a molecular weight of 814.99 g/mol. Its IUPAC name is 2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
PubChem CID134296418
Molecular FormulaC60H38N4
Molecular Weight814.99 g/mol
Exact Mass814.31
IUPAC Name2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c(-c4ccccc4-c4ccccc4)cccc32)c(-c2ccncc2)cc1-n1c2ccccc2c2c(-c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C60H38N4/c61-39-43-37-58(64-54-30-14-12-26-51(54)60-49(28-16-32-56(60)64)47-24-10-8-22-45(47)41-19-5-2-6-20-41)52(42-33-35-62-36-34-42)38-57(43)63-53-29-13-11-25-50(53)59-48(27-15-31-55(59)63)46-23-9-7-21-44(46)40-17-3-1-4-18-40/h1-38H
InChIKeyRWIBZBSHTJSOGC-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

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Related Compounds

4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138565530
4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 132915570
2,5-bis(3-tert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292536
4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134292666
5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566451
5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566479
9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile
CID 138565912
2,5-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292650
5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565649
4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134292618
2,5-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134301885
2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 140846580

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The IUPAC name of 2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (CID 134296418) is 2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The canonical SMILES for 2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is N#Cc1cc(-n2c3ccccc3c3c(-c4ccccc4-c4ccccc4)cccc32)c(-c2ccncc2)cc1-n1c2ccccc2c2c(-c3ccccc3-c3ccccc3)cccc21.
What is the InChIKey of 2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The InChIKey is RWIBZBSHTJSOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4/c61-39-43-37-58(64-54-30-14-12-26-51(54)60-49(28-16-32-56(60)64)47-24-10-8-22-45(47)41-19-5-2-6-20-41)52(42-33-35-62-36-34-42)38-57(43)63-53-29-13-11-25-50(53)59-48(27-15-31-55(59)63)46-23-9-7-21-44(46)40-17-3-1-4-18-40/h1-38H.
What are the key properties of 2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
2,5-bis[4-(2-phenylphenyl)carbazol-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 2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134296418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).