4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile

C44H26N4 — CID 155079511

IUPAC4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2C#N)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H26N4/c45-27-29-21-23-33(32-24-22-31(26-30(32)28-46)47-40-16-6-1-11-34(40)35-12-2-7-17-41(35)47)39(25-29)38-15-5-10-20-44(38)48-42-18-8-3-13-36(42)37-14-4-9-19-43(37)48/h1-26H
InChIKeyMDUYIXQMLGFLQS-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile

4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile (PubChem CID 155079511) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile.

Molecular Properties

Compound Name4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile
PubChem CID155079511
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2C#N)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H26N4/c45-27-29-21-23-33(32-24-22-31(26-30(32)28-46)47-40-16-6-1-11-34(40)35-12-2-7-17-41(35)47)39(25-29)38-15-5-10-20-44(38)48-42-18-8-3-13-36(42)37-14-4-9-19-43(37)48/h1-26H
InChIKeyMDUYIXQMLGFLQS-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-(5-carbazol-9-yl-2-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079777
9-[3-cyano-4-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080021
4-(2-carbazol-9-ylphenyl)-3-(2-cyano-4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile
CID 155081255
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081602
9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958735
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 155081294
3-carbazol-9-yl-4-[2-(5-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
CID 155080664
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081374
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155080883
9-[4-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155080959
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080706

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile?
The IUPAC name of 4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile (CID 155079511) is 4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile.
What is the SMILES notation for 4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile?
The canonical SMILES for 4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile is N#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2C#N)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile?
The InChIKey is MDUYIXQMLGFLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-21-23-33(32-24-22-31(26-30(32)28-46)47-40-16-6-1-11-34(40)35-12-2-7-17-41(35)47)39(25-29)38-15-5-10-20-44(38)48-42-18-8-3-13-36(42)37-14-4-9-19-43(37)48/h1-26H.
What are the key properties of 4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile?
4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)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 4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile is sourced from PubChem (CID 155079511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).