2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile

C39H24N4 — CID 145193476

IUPAC2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile
SMILESN#CC(C#N)(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C39H24N4/c40-25-39(26-41,27-17-21-29(22-18-27)42-35-13-5-1-9-31(35)32-10-2-6-14-36(32)42)28-19-23-30(24-20-28)43-37-15-7-3-11-33(37)34-12-4-8-16-38(34)43/h1-24H
InChIKeyNSCNXYMHXOSRDF-UHFFFAOYSA-N
MW548.65 g/mol
LogP9.21
Rot. Bonds4

About 2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile

2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile (PubChem CID 145193476) has the molecular formula C39H24N4 and a molecular weight of 548.65 g/mol. Its IUPAC name is 2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile.

Molecular Properties

Compound Name2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile
PubChem CID145193476
Molecular FormulaC39H24N4
Molecular Weight548.65 g/mol
Exact Mass548.20
IUPAC Name2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile
SMILESN#CC(C#N)(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C39H24N4/c40-25-39(26-41,27-17-21-29(22-18-27)42-35-13-5-1-9-31(35)32-10-2-6-14-36(32)42)28-19-23-30(24-20-28)43-37-15-7-3-11-33(37)34-12-4-8-16-38(34)43/h1-24H
InChIKeyNSCNXYMHXOSRDF-UHFFFAOYSA-N
XLogP9.21
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile?
The IUPAC name of 2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile (CID 145193476) is 2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile.
What is the SMILES notation for 2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile?
The canonical SMILES for 2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile is N#CC(C#N)(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile?
The InChIKey is NSCNXYMHXOSRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4/c40-25-39(26-41,27-17-21-29(22-18-27)42-35-13-5-1-9-31(35)32-10-2-6-14-36(32)42)28-19-23-30(24-20-28)43-37-15-7-3-11-33(37)34-12-4-8-16-38(34)43/h1-24H.
What are the key properties of 2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile?
2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile has a molecular weight of 548.65 g/mol, XLogP of 9.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile is sourced from PubChem (CID 145193476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).