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

C76H54N4 — CID 166785160

IUPAC2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile
SMILESCc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1cc(-c2cccnc2-c2cccc(-c3ccccc3)c2)cc(-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)c1C#N
InChIInChI=1S/C76H54N4/c1-48-18-8-12-26-60(48)54-31-35-70-65(41-54)66-42-55(61-27-13-9-19-49(61)2)32-36-71(66)79(70)74-45-59(64-30-17-39-78-76(64)58-25-16-24-53(40-58)52-22-6-5-7-23-52)46-75(69(74)47-77)80-72-37-33-56(62-28-14-10-20-50(62)3)43-67(72)68-44-57(34-38-73(68)80)63-29-15-11-21-51(63)4/h5-46H,1-4H3
InChIKeyOIFBXQJDSAARCQ-UHFFFAOYSA-N
MW1023.30 g/mol
LogP20.05
Rot. Bonds9

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

2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile (PubChem CID 166785160) has the molecular formula C76H54N4 and a molecular weight of 1023.30 g/mol. Its IUPAC name is 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile
PubChem CID166785160
Molecular FormulaC76H54N4
Molecular Weight1023.30 g/mol
Exact Mass1022.43
IUPAC Name2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile
SMILESCc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1cc(-c2cccnc2-c2cccc(-c3ccccc3)c2)cc(-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)c1C#N
InChIInChI=1S/C76H54N4/c1-48-18-8-12-26-60(48)54-31-35-70-65(41-54)66-42-55(61-27-13-9-19-49(61)2)32-36-71(66)79(70)74-45-59(64-30-17-39-78-76(64)58-25-16-24-53(40-58)52-22-6-5-7-23-52)46-75(69(74)47-77)80-72-37-33-56(62-28-14-10-20-50(62)3)43-67(72)68-44-57(34-38-73(68)80)63-29-15-11-21-51(63)4/h5-46H,1-4H3
InChIKeyOIFBXQJDSAARCQ-UHFFFAOYSA-N
XLogP20.05
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.30
LogP ≤ 520.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile
CID 166785155
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[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile
CID 134293052
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216720
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile
CID 134292730
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
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-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377762
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
2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523682
4-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 142577614
3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544391

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile?
The IUPAC name of 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile (CID 166785160) is 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile?
The canonical SMILES for 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile is Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1cc(-c2cccnc2-c2cccc(-c3ccccc3)c2)cc(-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)c1C#N.
What is the InChIKey of 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile?
The InChIKey is OIFBXQJDSAARCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54N4/c1-48-18-8-12-26-60(48)54-31-35-70-65(41-54)66-42-55(61-27-13-9-19-49(61)2)32-36-71(66)79(70)74-45-59(64-30-17-39-78-76(64)58-25-16-24-53(40-58)52-22-6-5-7-23-52)46-75(69(74)47-77)80-72-37-33-56(62-28-14-10-20-50(62)3)43-67(72)68-44-57(34-38-73(68)80)63-29-15-11-21-51(63)4/h5-46H,1-4H3.
What are the key properties of 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile?
2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile has a molecular weight of 1023.30 g/mol, XLogP of 20.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 166785160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).