9-(3-carbazol-9-ylphenyl)carbazole-3-carbonitrile

C31H19N3 — CID 102487818

IUPAC9-(3-carbazol-9-ylphenyl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C31H19N3/c32-20-21-16-17-31-27(18-21)26-12-3-6-15-30(26)34(31)23-9-7-8-22(19-23)33-28-13-4-1-10-24(28)25-11-2-5-14-29(25)33/h1-19H
InChIKeyKXMHPELKLKNUCC-UHFFFAOYSA-N
MW433.51 g/mol
LogP7.75
Rot. Bonds2

About 9-(3-carbazol-9-ylphenyl)carbazole-3-carbonitrile

9-(3-carbazol-9-ylphenyl)carbazole-3-carbonitrile (PubChem CID 102487818) has the molecular formula C31H19N3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(3-carbazol-9-ylphenyl)carbazole-3-carbonitrile
PubChem CID102487818
Molecular FormulaC31H19N3
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name9-(3-carbazol-9-ylphenyl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C31H19N3/c32-20-21-16-17-31-27(18-21)26-12-3-6-15-30(26)34(31)23-9-7-8-22(19-23)33-28-13-4-1-10-24(28)25-11-2-5-14-29(25)33/h1-19H
InChIKeyKXMHPELKLKNUCC-UHFFFAOYSA-N
XLogP7.75
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-ylphenyl)carbazole-3-carbonitrile?
The IUPAC name of 9-(3-carbazol-9-ylphenyl)carbazole-3-carbonitrile (CID 102487818) is 9-(3-carbazol-9-ylphenyl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(3-carbazol-9-ylphenyl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(3-carbazol-9-ylphenyl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-(3-carbazol-9-ylphenyl)carbazole-3-carbonitrile?
The InChIKey is KXMHPELKLKNUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3/c32-20-21-16-17-31-27(18-21)26-12-3-6-15-30(26)34(31)23-9-7-8-22(19-23)33-28-13-4-1-10-24(28)25-11-2-5-14-29(25)33/h1-19H.
What are the key properties of 9-(3-carbazol-9-ylphenyl)carbazole-3-carbonitrile?
9-(3-carbazol-9-ylphenyl)carbazole-3-carbonitrile has a molecular weight of 433.51 g/mol, XLogP of 7.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-ylphenyl)carbazole-3-carbonitrile is sourced from PubChem (CID 102487818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).