9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile

C44H26N4 — CID 155079598

IUPAC9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1cccc(-c2cccc(-n3c4ccccc4c4cccc(C#N)c43)c2)c1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H26N4/c45-27-30-13-10-20-33(29-12-9-15-32(26-29)47-39-22-5-3-18-36(39)37-21-11-14-31(28-46)44(37)47)43(30)38-19-4-8-25-42(38)48-40-23-6-1-16-34(40)35-17-2-7-24-41(35)48/h1-26H
InChIKeyDMMMDBBPMXAUCN-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile

9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile (PubChem CID 155079598) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
PubChem CID155079598
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1cccc(-c2cccc(-n3c4ccccc4c4cccc(C#N)c43)c2)c1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H26N4/c45-27-30-13-10-20-33(29-12-9-15-32(26-29)47-39-22-5-3-18-36(39)37-21-11-14-31(28-46)44(37)47)43(30)38-19-4-8-25-42(38)48-40-23-6-1-16-34(40)35-17-2-7-24-41(35)48/h1-26H
InChIKeyDMMMDBBPMXAUCN-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-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile
CID 154959166
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079630
3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile
CID 155079600
9-[3-[2-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080904
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile
CID 155080592
9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 148501028
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958111
9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081656
9-[2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile
CID 148897475
4-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155079862
2-(2-carbazol-9-ylphenyl)-3-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,4-dicarbonitrile
CID 155080920

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The IUPAC name of 9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile (CID 155079598) is 9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The canonical SMILES for 9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile is N#Cc1cccc(-c2cccc(-n3c4ccccc4c4cccc(C#N)c43)c2)c1-c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The InChIKey is DMMMDBBPMXAUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-30-13-10-20-33(29-12-9-15-32(26-29)47-39-22-5-3-18-36(39)37-21-11-14-31(28-46)44(37)47)43(30)38-19-4-8-25-42(38)48-40-23-6-1-16-34(40)35-17-2-7-24-41(35)48/h1-26H.
What are the key properties of 9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile?
9-[3-[2-(2-carbazol-9-ylphenyl)-3-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-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 155079598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).