2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile

C66H46N4 — CID 155377762

IUPAC2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
SMILESCc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3cc(-c4cccc(C#N)c4)cc(-n4c5cc(-c6ccccc6C)ccc5c5ccc(-c6ccccc6C)cc54)c3C#N)c2c1
InChIInChI=1S/C66H46N4/c1-41-14-5-9-20-52(41)47-24-28-56-57-29-25-48(53-21-10-6-15-42(53)2)34-62(57)69(61(56)33-47)65-37-51(46-19-13-18-45(32-46)39-67)38-66(60(65)40-68)70-63-35-49(54-22-11-7-16-43(54)3)26-30-58(63)59-31-27-50(36-64(59)70)55-23-12-8-17-44(55)4/h5-38H,1-4H3
InChIKeySTHJIXZQRYAFNM-UHFFFAOYSA-N
MW895.12 g/mol
LogP17.19
Rot. Bonds7

About 2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile

2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile (PubChem CID 155377762) has the molecular formula C66H46N4 and a molecular weight of 895.12 g/mol. Its IUPAC name is 2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile.

Molecular Properties

Compound Name2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
PubChem CID155377762
Molecular FormulaC66H46N4
Molecular Weight895.12 g/mol
Exact Mass894.37
IUPAC Name2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
SMILESCc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3cc(-c4cccc(C#N)c4)cc(-n4c5cc(-c6ccccc6C)ccc5c5ccc(-c6ccccc6C)cc54)c3C#N)c2c1
InChIInChI=1S/C66H46N4/c1-41-14-5-9-20-52(41)47-24-28-56-57-29-25-48(53-21-10-6-15-42(53)2)34-62(57)69(61(56)33-47)65-37-51(46-19-13-18-45(32-46)39-67)38-66(60(65)40-68)70-63-35-49(54-22-11-7-16-43(54)3)26-30-58(63)59-31-27-50(36-64(59)70)55-23-12-8-17-44(55)4/h5-38H,1-4H3
InChIKeySTHJIXZQRYAFNM-UHFFFAOYSA-N
XLogP17.19
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.12
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 155646771
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
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-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 155646849
2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377637
4-(3-cyanophenyl)-2,6-bis(4,5-dimethylcarbazol-9-yl)benzonitrile
CID 158776967
2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377522
2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 159473488
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
4-[3,5-bis(trifluoromethyl)phenyl]-2,6-bis[2-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 134300612
2,6-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142466030

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
The IUPAC name of 2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile (CID 155377762) is 2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile.
What is the SMILES notation for 2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
The canonical SMILES for 2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile is Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3cc(-c4cccc(C#N)c4)cc(-n4c5cc(-c6ccccc6C)ccc5c5ccc(-c6ccccc6C)cc54)c3C#N)c2c1.
What is the InChIKey of 2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
The InChIKey is STHJIXZQRYAFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N4/c1-41-14-5-9-20-52(41)47-24-28-56-57-29-25-48(53-21-10-6-15-42(53)2)34-62(57)69(61(56)33-47)65-37-51(46-19-13-18-45(32-46)39-67)38-66(60(65)40-68)70-63-35-49(54-22-11-7-16-43(54)3)26-30-58(63)59-31-27-50(36-64(59)70)55-23-12-8-17-44(55)4/h5-38H,1-4H3.
What are the key properties of 2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile has a molecular weight of 895.12 g/mol, XLogP of 17.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile is sourced from PubChem (CID 155377762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).