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

C44H26N4 — CID 155080518

IUPAC9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
SMILESN#Cc1c(-c2cccc(-n3c4ccccc4c4c(C#N)cccc43)c2)cccc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H26N4/c45-27-30-13-10-25-43-44(30)37-18-4-8-24-42(37)47(43)31-14-9-12-29(26-31)32-19-11-20-33(38(32)28-46)34-15-1-5-21-39(34)48-40-22-6-2-16-35(40)36-17-3-7-23-41(36)48/h1-26H
InChIKeyFYGHENGRQLBTQA-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

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

9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile (PubChem CID 155080518) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile.

Molecular Properties

Compound Name9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
PubChem CID155080518
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
SMILESN#Cc1c(-c2cccc(-n3c4ccccc4c4c(C#N)cccc43)c2)cccc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H26N4/c45-27-30-13-10-25-43-44(30)37-18-4-8-24-42(37)47(43)31-14-9-12-29(26-31)32-19-11-20-33(38(32)28-46)34-15-1-5-21-39(34)48-40-22-6-2-16-35(40)36-17-3-7-23-41(36)48/h1-26H
InChIKeyFYGHENGRQLBTQA-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-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147223871
2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 155081407
9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958336
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
9-[3-[5-cyano-2-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155081657
4-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155079862
9-[2-cyano-3-[3-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155086420
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 155081294
9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 147595395
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155081782
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile
CID 155079600

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The IUPAC name of 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile (CID 155080518) is 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile.
What is the SMILES notation for 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The canonical SMILES for 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile is N#Cc1c(-c2cccc(-n3c4ccccc4c4c(C#N)cccc43)c2)cccc1-c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The InChIKey is FYGHENGRQLBTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-30-13-10-25-43-44(30)37-18-4-8-24-42(37)47(43)31-14-9-12-29(26-31)32-19-11-20-33(38(32)28-46)34-15-1-5-21-39(34)48-40-22-6-2-16-35(40)36-17-3-7-23-41(36)48/h1-26H.
What are the key properties of 9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile?
9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-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-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile is sourced from PubChem (CID 155080518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).