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

C52H34N4 — CID 146238082

IUPAC3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc(C#N)c5)c(-n5c6ccccc6c6ccc(-c7cccc(C)c7)cc65)c4C#N)c3c2)c1
InChIInChI=1S/C52H34N4/c1-33-10-7-13-36(26-33)38-20-22-44-42-16-3-5-18-47(42)55(50(44)29-38)49-25-24-41(40-15-9-12-35(28-40)31-53)52(46(49)32-54)56-48-19-6-4-17-43(48)45-23-21-39(30-51(45)56)37-14-8-11-34(2)27-37/h3-30H,1-2H3
InChIKeyDMBGDMUMBMOUMS-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.24
Rot. Bonds5

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

3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile (PubChem CID 146238082) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
PubChem CID146238082
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc(C#N)c5)c(-n5c6ccccc6c6ccc(-c7cccc(C)c7)cc65)c4C#N)c3c2)c1
InChIInChI=1S/C52H34N4/c1-33-10-7-13-36(26-33)38-20-22-44-42-16-3-5-18-47(42)55(50(44)29-38)49-25-24-41(40-15-9-12-35(28-40)31-53)52(46(49)32-54)56-48-19-6-4-17-43(48)45-23-21-39(30-51(45)56)37-14-8-11-34(2)27-37/h3-30H,1-2H3
InChIKeyDMBGDMUMBMOUMS-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

3-(3-cyanophenyl)-2,6-bis(3-methylcarbazol-9-yl)benzonitrile
CID 142465962
3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 148620715
2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile
CID 155377754
4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 155646771
3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 137381588
2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427685
2,6-bis[2-(4-cyanophenyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427397
2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile
CID 155377775
3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile
CID 135136163
3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 155427570
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
2,6-bis(2,7-dimethylcarbazol-9-yl)-3-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162611014

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile (CID 146238082) is 3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile is Cc1cccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc(C#N)c5)c(-n5c6ccccc6c6ccc(-c7cccc(C)c7)cc65)c4C#N)c3c2)c1.
What is the InChIKey of 3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile?
The InChIKey is DMBGDMUMBMOUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-33-10-7-13-36(26-33)38-20-22-44-42-16-3-5-18-47(42)55(50(44)29-38)49-25-24-41(40-15-9-12-35(28-40)31-53)52(46(49)32-54)56-48-19-6-4-17-43(48)45-23-21-39(30-51(45)56)37-14-8-11-34(2)27-37/h3-30H,1-2H3.
What are the key properties of 3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile?
3-(3-cyanophenyl)-2,6-bis[2-(3-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 3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 146238082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).