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

C44H26N4 — CID 155080542

IUPAC9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cccc(-c2ccc(C#N)c(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C44H26N4/c45-27-29-20-23-43-38(24-29)37-15-4-8-19-42(37)47(43)39-16-5-1-12-34(39)32-11-9-10-30(25-32)31-21-22-33(28-46)44(26-31)48-40-17-6-2-13-35(40)36-14-3-7-18-41(36)48/h1-26H
InChIKeyOSKBVSRVIDYDTF-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

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

9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 155080542) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
PubChem CID155080542
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cccc(-c2ccc(C#N)c(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C44H26N4/c45-27-29-20-23-43-38(24-29)37-15-4-8-19-42(37)47(43)39-16-5-1-12-34(39)32-11-9-10-30(25-32)31-21-22-33(28-46)44(26-31)48-40-17-6-2-13-35(40)36-14-3-7-18-41(36)48/h1-26H
InChIKeyOSKBVSRVIDYDTF-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-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155604852
9-[2-cyano-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155603815
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155080575
2-carbazol-9-yl-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 155080653
9-[2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080141
4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 155604429
9-[2-[4-(3-carbazol-9-yl-2-cyanophenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080288
9-[2-cyano-3-[3-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155086420
9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079728
9-[2-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345
5-(2-carbazol-9-ylphenyl)-3-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081736
9-[3-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 167280274

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile (CID 155080542) is 9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cccc(-c2ccc(C#N)c(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is OSKBVSRVIDYDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-20-23-43-38(24-29)37-15-4-8-19-42(37)47(43)39-16-5-1-12-34(39)32-11-9-10-30(25-32)31-21-22-33(28-46)44(26-31)48-40-17-6-2-13-35(40)36-14-3-7-18-41(36)48/h1-26H.
What are the key properties of 9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile?
9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]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-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 155080542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).