3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile

C44H26N4 — CID 155079827

IUPAC3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C#N)c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H26N4/c45-27-29-20-23-34(44(24-29)48-42-18-7-3-14-37(42)38-15-4-8-19-43(38)48)31-21-22-32(28-46)39(26-31)30-10-9-11-33(25-30)47-40-16-5-1-12-35(40)36-13-2-6-17-41(36)47/h1-26H
InChIKeyFODFRHCHGZTLCW-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

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

3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile (PubChem CID 155079827) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
PubChem CID155079827
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C#N)c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H26N4/c45-27-29-20-23-34(44(24-29)48-42-18-7-3-14-37(42)38-15-4-8-19-43(38)48)31-21-22-32(28-46)39(26-31)30-10-9-11-33(25-30)47-40-16-5-1-12-35(40)36-13-2-6-17-41(36)47/h1-26H
InChIKeyFODFRHCHGZTLCW-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

9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile
CID 155080711
3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081292
9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 167336223
3-carbazol-9-yl-4-[2-(5-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
CID 155080664
3-carbazol-9-yl-2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155080464
2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile
CID 122430955
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
9-[2-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345
9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079728
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155081382
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958752

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile?
The IUPAC name of 3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile (CID 155079827) is 3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile is N#Cc1ccc(-c2ccc(C#N)c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile?
The InChIKey is FODFRHCHGZTLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-20-23-34(44(24-29)48-42-18-7-3-14-37(42)38-15-4-8-19-43(38)48)31-21-22-32(28-46)39(26-31)30-10-9-11-33(25-30)47-40-16-5-1-12-35(40)36-13-2-6-17-41(36)47/h1-26H.
What are the key properties of 3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile?
3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]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-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile is sourced from PubChem (CID 155079827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).