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9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile

C44H26N4 — CID 155080823

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-n2c3ccccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C44H26N4/c45-27-29-17-22-39-38-12-2-6-14-41(38)47(44(39)25-29)34-24-30(28-46)23-33(26-34)31-18-20-32(21-19-31)35-9-1-5-13-40(35)48-42-15-7-3-10-36(42)37-11-4-8-16-43(37)48/h1-26H
InChIKeyLBGMVOXRZYXSEZ-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.96
Rot. Bonds4

About 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile

9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile (PubChem CID 155080823) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
PubChem CID155080823
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-n2c3ccccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C44H26N4/c45-27-29-17-22-39-38-12-2-6-14-41(38)47(44(39)25-29)34-24-30(28-46)23-33(26-34)31-18-20-32(21-19-31)35-9-1-5-13-40(35)48-42-15-7-3-10-36(42)37-11-4-8-16-43(37)48/h1-26H
InChIKeyLBGMVOXRZYXSEZ-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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Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile (CID 155080823) is 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile is N#Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-n2c3ccccc3c3ccc(C#N)cc32)c1.
What is the InChIKey of 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile?
The InChIKey is LBGMVOXRZYXSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-17-22-39-38-12-2-6-14-41(38)47(44(39)25-29)34-24-30(28-46)23-33(26-34)31-18-20-32(21-19-31)35-9-1-5-13-40(35)48-42-15-7-3-10-36(42)37-11-4-8-16-43(37)48/h1-26H.
What are the key properties of 9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile?
9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-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-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 155080823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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