9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile

C44H26N4 — CID 155079535

IUPAC9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2-n2c3ccccc3c3cccc(C#N)c32)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C44H26N4/c45-27-29-20-25-33(34-11-1-7-18-42(34)48-43-19-8-4-14-37(43)38-15-9-10-31(28-46)44(38)48)39(26-29)30-21-23-32(24-22-30)47-40-16-5-2-12-35(40)36-13-3-6-17-41(36)47/h1-26H
InChIKeyJXYATMHGGUZZIO-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile

9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile (PubChem CID 155079535) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
PubChem CID155079535
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2-n2c3ccccc3c3cccc(C#N)c32)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C44H26N4/c45-27-29-20-25-33(34-11-1-7-18-42(34)48-43-19-8-4-14-37(43)38-15-9-10-31(28-46)44(38)48)39(26-29)30-21-23-32(24-22-30)47-40-16-5-2-12-35(40)36-13-3-6-17-41(36)47/h1-26H
InChIKeyJXYATMHGGUZZIO-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-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080166
9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081656
2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155079503
9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155081310
9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080053
9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155079745
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079670
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile
CID 155080711
4-(2-carbazol-9-ylphenyl)-5-[4-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081493
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080660
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155081620
9-[4-[2-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080563

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The IUPAC name of 9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile (CID 155079535) is 9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The canonical SMILES for 9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile is N#Cc1ccc(-c2ccccc2-n2c3ccccc3c3cccc(C#N)c32)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of 9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The InChIKey is JXYATMHGGUZZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-20-25-33(34-11-1-7-18-42(34)48-43-19-8-4-14-37(43)38-15-9-10-31(28-46)44(38)48)39(26-29)30-21-23-32(24-22-30)47-40-16-5-2-12-35(40)36-13-3-6-17-41(36)47/h1-26H.
What are the key properties of 9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile?
9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-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-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 155079535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).