9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile

C44H26N4 — CID 155079728

IUPAC9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc2C#N)cc1
InChIInChI=1S/C44H26N4/c45-27-29-17-24-44-39(25-29)37-12-4-6-14-41(37)47(44)33-22-20-30(21-23-33)38-26-31(18-19-32(38)28-46)34-9-1-5-13-40(34)48-42-15-7-2-10-35(42)36-11-3-8-16-43(36)48/h1-26H
InChIKeySCTNOABGWURYNX-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile

9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 155079728) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
PubChem CID155079728
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc2C#N)cc1
InChIInChI=1S/C44H26N4/c45-27-29-17-24-44-39(25-29)37-12-4-6-14-41(37)47(44)33-22-20-30(21-23-33)38-26-31(18-19-32(38)28-46)34-9-1-5-13-40(34)48-42-15-7-2-10-35(42)36-11-3-8-16-43(36)48/h1-26H
InChIKeySCTNOABGWURYNX-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-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345
9-[2-[2-cyano-5-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080988
9-[4-[4-cyano-3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080950
4-(2-carbazol-9-ylphenyl)-5-[4-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081493
9-[2-[3-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080885
9-[2-[4-cyano-3-[4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604021
6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 154958315
6-carbazol-9-yl-9-[2-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958499
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155081498
9-[2-[2-cyano-5-[4-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080052

Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile (CID 155079728) is 9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc2C#N)cc1.
What is the InChIKey of 9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is SCTNOABGWURYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-17-24-44-39(25-29)37-12-4-6-14-41(37)47(44)33-22-20-30(21-23-33)38-26-31(18-19-32(38)28-46)34-9-1-5-13-40(34)48-42-15-7-2-10-35(42)36-11-3-8-16-43(36)48/h1-26H.
What are the key properties of 9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile?
9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile 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 9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 155079728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).