9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile

C44H26N4 — CID 155080711

IUPAC9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(-n2c3ccccc3c3cccc(C#N)c32)c1
InChIInChI=1S/C44H26N4/c45-27-29-23-24-38(43(25-29)48-42-22-8-5-18-37(42)39-19-10-12-31(28-46)44(39)48)34-15-2-1-14-33(34)30-11-9-13-32(26-30)47-40-20-6-3-16-35(40)36-17-4-7-21-41(36)47/h1-26H
InChIKeyJJAWREYBLJLWIL-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile

9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile (PubChem CID 155080711) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile
PubChem CID155080711
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(-n2c3ccccc3c3cccc(C#N)c32)c1
InChIInChI=1S/C44H26N4/c45-27-29-23-24-38(43(25-29)48-42-22-8-5-18-37(42)39-19-10-12-31(28-46)44(39)48)34-15-2-1-14-33(34)30-11-9-13-32(26-30)47-40-20-6-3-16-35(40)36-17-4-7-21-41(36)47/h1-26H
InChIKeyJJAWREYBLJLWIL-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-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081656
9-[3-[2-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080904
3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155079827
9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079535
9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081162
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080273
9-[2-cyano-6-[3-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080276
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080660
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079630
9-[3-[5-cyano-2-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155081657
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile
CID 155080592
3-carbazol-9-yl-4-[2-(5-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
CID 155080664

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile?
The IUPAC name of 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile (CID 155080711) is 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile?
The canonical SMILES for 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile is N#Cc1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(-n2c3ccccc3c3cccc(C#N)c32)c1.
What is the InChIKey of 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile?
The InChIKey is JJAWREYBLJLWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-23-24-38(43(25-29)48-42-22-8-5-18-37(42)39-19-10-12-31(28-46)44(39)48)34-15-2-1-14-33(34)30-11-9-13-32(26-30)47-40-20-6-3-16-35(40)36-17-4-7-21-41(36)47/h1-26H.
What are the key properties of 9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile?
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]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-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 155080711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).