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

C52H28N6 — CID 148620715

IUPAC3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c(C#N)c2-n2c3ccccc3c3ccc(-c4ccccc4C#N)cc32)c1
InChIInChI=1S/C52H28N6/c53-29-33-10-9-13-34(26-33)41-24-25-49(57-47-18-7-5-16-42(47)44-22-20-35(27-50(44)57)39-14-3-1-11-37(39)30-54)46(32-56)52(41)58-48-19-8-6-17-43(48)45-23-21-36(28-51(45)58)40-15-4-2-12-38(40)31-55/h1-28H
InChIKeyNGFJSJZMRILPPG-UHFFFAOYSA-N
MW736.84 g/mol
LogP12.37
Rot. Bonds5

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

3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile (PubChem CID 148620715) has the molecular formula C52H28N6 and a molecular weight of 736.84 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
PubChem CID148620715
Molecular FormulaC52H28N6
Molecular Weight736.84 g/mol
Exact Mass736.24
IUPAC Name3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c(C#N)c2-n2c3ccccc3c3ccc(-c4ccccc4C#N)cc32)c1
InChIInChI=1S/C52H28N6/c53-29-33-10-9-13-34(26-33)41-24-25-49(57-47-18-7-5-16-42(47)44-22-20-35(27-50(44)57)39-14-3-1-11-37(39)30-54)46(32-56)52(41)58-48-19-8-6-17-43(48)45-23-21-36(28-51(45)58)40-15-4-2-12-38(40)31-55/h1-28H
InChIKeyNGFJSJZMRILPPG-UHFFFAOYSA-N
XLogP12.37
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.84
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 146238082
4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 146237957
3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 142466016
3-(3-cyanophenyl)-2,6-bis(3-methylcarbazol-9-yl)benzonitrile
CID 142465962
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[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile
CID 155377754
3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile
CID 135136163
2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 155377782
4-(3-cyanophenyl)-2,5-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 155646695
4-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 155646849
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile (CID 148620715) is 3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile is N#Cc1cccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c(C#N)c2-n2c3ccccc3c3ccc(-c4ccccc4C#N)cc32)c1.
What is the InChIKey of 3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile?
The InChIKey is NGFJSJZMRILPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28N6/c53-29-33-10-9-13-34(26-33)41-24-25-49(57-47-18-7-5-16-42(47)44-22-20-35(27-50(44)57)39-14-3-1-11-37(39)30-54)46(32-56)52(41)58-48-19-8-6-17-43(48)45-23-21-36(28-51(45)58)40-15-4-2-12-38(40)31-55/h1-28H.
What are the key properties of 3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile?
3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile has a molecular weight of 736.84 g/mol, XLogP of 12.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 148620715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).