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

C52H34N4 — CID 155646771

IUPAC4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cccc(C#N)c5)cc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7)cc65)c4C#N)c3c2)cc1
InChIInChI=1S/C52H34N4/c1-33-14-18-36(19-15-33)39-22-24-44-42-10-3-5-12-47(42)55(49(44)27-39)51-29-41(38-9-7-8-35(26-38)31-53)30-52(46(51)32-54)56-48-13-6-4-11-43(48)45-25-23-40(28-50(45)56)37-20-16-34(2)17-21-37/h3-30H,1-2H3
InChIKeyMMSQVXLNIRBRTI-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.24
Rot. Bonds5

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

4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile (PubChem CID 155646771) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
PubChem CID155646771
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cccc(C#N)c5)cc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7)cc65)c4C#N)c3c2)cc1
InChIInChI=1S/C52H34N4/c1-33-14-18-36(19-15-33)39-22-24-44-42-10-3-5-12-47(42)55(49(44)27-39)51-29-41(38-9-7-8-35(26-38)31-53)30-52(46(51)32-54)56-48-13-6-4-11-43(48)45-25-23-40(28-50(45)56)37-20-16-34(2)17-21-37/h3-30H,1-2H3
InChIKeyMMSQVXLNIRBRTI-UHFFFAOYSA-N
XLogP13.24
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[9-[2-cyano-5-(3-cyanophenyl)-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465799
5-[9-[2-cyano-5-(3,5-dicyanophenyl)-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 139538914
4-(3-cyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 146238092
2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377762
4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 142489544
4-[9-[2-cyano-5-(3-cyanophenyl)-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465875
4-[3,5-bis(trifluoromethyl)phenyl]-2,6-bis[2-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 134300612
2-[2-(3-cyanophenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-6-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 140846724
4-(3-cyanophenyl)-2-(3-methylcarbazol-9-yl)-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 162180279
2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377637
3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 146238082
2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377522

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile (CID 155646771) is 4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile is Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cccc(C#N)c5)cc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7)cc65)c4C#N)c3c2)cc1.
What is the InChIKey of 4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile?
The InChIKey is MMSQVXLNIRBRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-33-14-18-36(19-15-33)39-22-24-44-42-10-3-5-12-47(42)55(49(44)27-39)51-29-41(38-9-7-8-35(26-38)31-53)30-52(46(51)32-54)56-48-13-6-4-11-43(48)45-25-23-40(28-50(45)56)37-20-16-34(2)17-21-37/h3-30H,1-2H3.
What are the key properties of 4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile?
4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile has a molecular weight of 714.87 g/mol, XLogP of 13.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 155646771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).