2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile

C56H38N4 — CID 155216720

IUPAC2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
SMILESCc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc(-c3ccccc3)n2)cc(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1C#N
InChIInChI=1S/C56H38N4/c1-36-15-6-8-19-42(36)39-27-29-53-46(31-39)44-21-10-12-25-51(44)59(53)55-33-41(50-24-14-23-49(58-50)38-17-4-3-5-18-38)34-56(48(55)35-57)60-52-26-13-11-22-45(52)47-32-40(28-30-54(47)60)43-20-9-7-16-37(43)2/h3-34H,1-2H3
InChIKeyLBPDKMCNWHOFCS-UHFFFAOYSA-N
MW766.95 g/mol
LogP14.43
Rot. Bonds6

About 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile

2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile (PubChem CID 155216720) has the molecular formula C56H38N4 and a molecular weight of 766.95 g/mol. Its IUPAC name is 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
PubChem CID155216720
Molecular FormulaC56H38N4
Molecular Weight766.95 g/mol
Exact Mass766.31
IUPAC Name2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
SMILESCc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc(-c3ccccc3)n2)cc(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1C#N
InChIInChI=1S/C56H38N4/c1-36-15-6-8-19-42(36)39-27-29-53-46(31-39)44-21-10-12-25-51(44)59(53)55-33-41(50-24-14-23-49(58-50)38-17-4-3-5-18-38)34-56(48(55)35-57)60-52-26-13-11-22-45(52)47-32-40(28-30-54(47)60)43-20-9-7-16-37(43)2/h3-34H,1-2H3
InChIKeyLBPDKMCNWHOFCS-UHFFFAOYSA-N
XLogP14.43
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.95
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216592
2-(4,6-diphenylpyrimidin-2-yl)-4,5-bis[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 155217558
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile
CID 134292730
4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 155216444
4-[4-cyano-3-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138736274
2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216709
2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile
CID 166785160
2,6-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 155217683
2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216461
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138729658
2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile
CID 134302072
2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile
CID 134293052

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile?
The IUPAC name of 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile (CID 155216720) is 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile?
The canonical SMILES for 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile is Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc(-c3ccccc3)n2)cc(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1C#N.
What is the InChIKey of 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile?
The InChIKey is LBPDKMCNWHOFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4/c1-36-15-6-8-19-42(36)39-27-29-53-46(31-39)44-21-10-12-25-51(44)59(53)55-33-41(50-24-14-23-49(58-50)38-17-4-3-5-18-38)34-56(48(55)35-57)60-52-26-13-11-22-45(52)47-32-40(28-30-54(47)60)43-20-9-7-16-37(43)2/h3-34H,1-2H3.
What are the key properties of 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile?
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile has a molecular weight of 766.95 g/mol, XLogP of 14.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 155216720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).