4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

C58H36N6 — CID 146544200

IUPAC4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cncc2-n2c3ccccc3c3cc(-c4cccnc4-c4ccccc4)ccc32)cc1
InChIInChI=1S/C58H36N6/c59-35-38-23-25-39(26-24-38)56-54(63-50-21-9-7-17-46(50)48-33-42(27-29-52(48)63)44-19-11-31-61-57(44)40-13-3-1-4-14-40)36-60-37-55(56)64-51-22-10-8-18-47(51)49-34-43(28-30-53(49)64)45-20-12-32-62-58(45)41-15-5-2-6-16-41/h1-34,36-37H
InChIKeyGBVVWKXGZHPLBE-UHFFFAOYSA-N
MW816.97 g/mol
LogP14.27
Rot. Bonds7

About 4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146544200) has the molecular formula C58H36N6 and a molecular weight of 816.97 g/mol. Its IUPAC name is 4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146544200
Molecular FormulaC58H36N6
Molecular Weight816.97 g/mol
Exact Mass816.30
IUPAC Name4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cncc2-n2c3ccccc3c3cc(-c4cccnc4-c4ccccc4)ccc32)cc1
InChIInChI=1S/C58H36N6/c59-35-38-23-25-39(26-24-38)56-54(63-50-21-9-7-17-46(50)48-33-42(27-29-52(48)63)44-19-11-31-61-57(44)40-13-3-1-4-14-40)36-60-37-55(56)64-51-22-10-8-18-47(51)49-34-43(28-30-53(49)64)45-20-12-32-62-58(45)41-15-5-2-6-16-41/h1-34,36-37H
InChIKeyGBVVWKXGZHPLBE-UHFFFAOYSA-N
XLogP14.27
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.97
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3,5-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 165071052
3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544391
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546484
4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544354
4-[3,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 142452373
3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377672
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
3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 146984250
4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544365
4-(2,3,4,5,6-pentafluorophenyl)-2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 154959931
4-[3,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 162609731
4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543869

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146544200) is 4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is N#Cc1ccc(-c2c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cncc2-n2c3ccccc3c3cc(-c4cccnc4-c4ccccc4)ccc32)cc1.
What is the InChIKey of 4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is GBVVWKXGZHPLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6/c59-35-38-23-25-39(26-24-38)56-54(63-50-21-9-7-17-46(50)48-33-42(27-29-52(48)63)44-19-11-31-61-57(44)40-13-3-1-4-14-40)36-60-37-55(56)64-51-22-10-8-18-47(51)49-34-43(28-30-53(49)64)45-20-12-32-62-58(45)41-15-5-2-6-16-41/h1-34,36-37H.
What are the key properties of 4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 816.97 g/mol, XLogP of 14.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146544200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).