4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile

C52H28N6 — CID 146237957

IUPAC4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(-c2c(-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4ccccc4C#N)cc32)c1
InChIInChI=1S/C52H28N6/c53-29-33-10-9-13-37(24-33)52-50(57-46-18-7-5-16-42(46)44-22-20-35(27-48(44)57)40-14-3-1-11-38(40)31-55)25-34(30-54)26-51(52)58-47-19-8-6-17-43(47)45-23-21-36(28-49(45)58)41-15-4-2-12-39(41)32-56/h1-28H
InChIKeyOMHUBGRDJMGVOS-UHFFFAOYSA-N
MW736.84 g/mol
LogP12.37
Rot. Bonds5

About 4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile

4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile (PubChem CID 146237957) has the molecular formula C52H28N6 and a molecular weight of 736.84 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
PubChem CID146237957
Molecular FormulaC52H28N6
Molecular Weight736.84 g/mol
Exact Mass736.24
IUPAC Name4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(-c2c(-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4ccccc4C#N)cc32)c1
InChIInChI=1S/C52H28N6/c53-29-33-10-9-13-37(24-33)52-50(57-46-18-7-5-16-42(46)44-22-20-35(27-48(44)57)40-14-3-1-11-38(40)31-55)25-34(30-54)26-51(52)58-47-19-8-6-17-43(47)45-23-21-36(28-49(45)58)41-15-4-2-12-39(41)32-56/h1-28H
InChIKeyOMHUBGRDJMGVOS-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-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 142466016
5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile
CID 139538817
4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-cyano-2-(3-cyanophenyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146237996
2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 155377782
3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 148620715
3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216621
3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134302096
5-[3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612269
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[2-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 134300624
3-[9-[2-(3-cyanophenyl)-3-[2-(3-cyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile
CID 142465716
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)-2,5-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 155646695

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile (CID 146237957) is 4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile is N#Cc1cccc(-c2c(-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4ccccc4C#N)cc32)c1.
What is the InChIKey of 4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile?
The InChIKey is OMHUBGRDJMGVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28N6/c53-29-33-10-9-13-37(24-33)52-50(57-46-18-7-5-16-42(46)44-22-20-35(27-48(44)57)40-14-3-1-11-38(40)31-55)25-34(30-54)26-51(52)58-47-19-8-6-17-43(47)45-23-21-36(28-49(45)58)41-15-4-2-12-39(41)32-56/h1-28H.
What are the key properties of 4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile?
4-(3-cyanophenyl)-3,5-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 4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 146237957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).