2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile

C50H34N4 — CID 166785155

IUPAC2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccnc2-c2cccc(-c3ccccc3)c2)cc(-n2c3ccccc3c3cc(C)ccc32)c1C#N
InChIInChI=1S/C50H34N4/c1-32-21-23-46-41(26-32)39-16-6-8-19-44(39)53(46)48-29-37(38-18-11-25-52-50(38)36-15-10-14-35(28-36)34-12-4-3-5-13-34)30-49(43(48)31-51)54-45-20-9-7-17-40(45)42-27-33(2)22-24-47(42)54/h3-30H,1-2H3
InChIKeyFVWCEDGKDZMBIK-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.77
Rot. Bonds5

About 2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile

2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile (PubChem CID 166785155) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile
PubChem CID166785155
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccnc2-c2cccc(-c3ccccc3)c2)cc(-n2c3ccccc3c3cc(C)ccc32)c1C#N
InChIInChI=1S/C50H34N4/c1-32-21-23-46-41(26-32)39-16-6-8-19-44(39)53(46)48-29-37(38-18-11-25-52-50(38)36-15-10-14-35(28-36)34-12-4-3-5-13-34)30-49(43(48)31-51)54-45-20-9-7-17-40(45)42-27-33(2)22-24-47(42)54/h3-30H,1-2H3
InChIKeyFVWCEDGKDZMBIK-UHFFFAOYSA-N
XLogP12.77
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile
CID 166785160
2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile
CID 166785146
2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139507231
2,6-bis(3-methylcarbazol-9-yl)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-4-yl)benzonitrile
CID 153434967
2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523682
2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 154966870
2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile;2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile;4-(3,5-difluorophenyl)-2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile;4-(3,5-difluorophenyl)-2,6-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 158091253
3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377672
2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292741
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile
CID 134292730
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216720
3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3,6-dimethylcarbazol-9-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-methylcarbazol-9-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-methylcarbazol-9-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-[2-(2-phenyl-3-pyridinyl)-7-(3-phenyl-4-pyridinyl)carbazol-9-yl]benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-3,5-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 161279664

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile?
The IUPAC name of 2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile (CID 166785155) is 2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile?
The canonical SMILES for 2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile is Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccnc2-c2cccc(-c3ccccc3)c2)cc(-n2c3ccccc3c3cc(C)ccc32)c1C#N.
What is the InChIKey of 2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile?
The InChIKey is FVWCEDGKDZMBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-32-21-23-46-41(26-32)39-16-6-8-19-44(39)53(46)48-29-37(38-18-11-25-52-50(38)36-15-10-14-35(28-36)34-12-4-3-5-13-34)30-49(43(48)31-51)54-45-20-9-7-17-40(45)42-27-33(2)22-24-47(42)54/h3-30H,1-2H3.
What are the key properties of 2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile?
2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile has a molecular weight of 690.85 g/mol, XLogP of 12.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 166785155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).