3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile

C44H26N4 — CID 135136163

IUPAC3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3cccc(C#N)c3)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H26N4/c45-27-29-11-9-13-31(25-29)33-23-24-34(32-14-10-12-30(26-32)28-46)44(48-41-21-7-3-17-37(41)38-18-4-8-22-42(38)48)43(33)47-39-19-5-1-15-35(39)36-16-2-6-20-40(36)47/h1-26H
InChIKeySFGPKWATSPTXRT-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile

3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile (PubChem CID 135136163) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile
PubChem CID135136163
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3cccc(C#N)c3)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H26N4/c45-27-29-11-9-13-31(25-29)33-23-24-34(32-14-10-12-30(26-32)28-46)44(48-41-21-7-3-17-37(41)38-18-4-8-22-42(38)48)43(33)47-39-19-5-1-15-35(39)36-16-2-6-20-40(36)47/h1-26H
InChIKeySFGPKWATSPTXRT-UHFFFAOYSA-N
XLogP10.96
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile
CID 135130926
3-(3-cyanophenyl)-2,6-bis(3-methylcarbazol-9-yl)benzonitrile
CID 142465962
3-[2,4-bis(3-carbazol-9-ylcarbazol-9-yl)-3-methylphenyl]benzonitrile
CID 157387671
3-[2,5-di(carbazol-9-yl)-3-(3-cyanophenyl)-4,6-dimethylphenyl]benzonitrile
CID 139554104
9-[3-(2-cyanocarbazol-9-yl)-4-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]carbazole-2-carbonitrile
CID 142465811
3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 148620715
3-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 146614802
3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 146238082
5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 142465726
5-[2,4,6-tri(carbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 135135988
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
2-carbazol-9-yl-3-[18-(3-cyanophenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]benzonitrile
CID 126582478

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile?
The IUPAC name of 3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile (CID 135136163) is 3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile?
The canonical SMILES for 3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile is N#Cc1cccc(-c2ccc(-c3cccc(C#N)c3)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile?
The InChIKey is SFGPKWATSPTXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-11-9-13-31(25-29)33-23-24-34(32-14-10-12-30(26-32)28-46)44(48-41-21-7-3-17-37(41)38-18-4-8-22-42(38)48)43(33)47-39-19-5-1-15-35(39)36-16-2-6-20-40(36)47/h1-26H.
What are the key properties of 3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile?
3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile has a molecular weight of 610.72 g/mol, XLogP of 10.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile is sourced from PubChem (CID 135136163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).