2-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]propanedinitrile

C38H25N5 — CID 132598821

IUPAC2-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc(N(c2ccc(-n3ccc4ccccc43)cc2)c2ccc(-n3ccc4ccccc43)cc2)cc1
InChIInChI=1S/C38H25N5/c39-26-29(27-40)25-28-9-11-34(12-10-28)43(35-17-13-32(14-18-35)41-23-21-30-5-1-3-7-37(30)41)36-19-15-33(16-20-36)42-24-22-31-6-2-4-8-38(31)42/h1-25H
InChIKeyGWDDFUDCEYWIDF-UHFFFAOYSA-N
MW551.65 g/mol
LogP9.47
Rot. Bonds6

About 2-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]propanedinitrile

2-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]propanedinitrile (PubChem CID 132598821) has the molecular formula C38H25N5 and a molecular weight of 551.65 g/mol. Its IUPAC name is 2-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]propanedinitrile
PubChem CID132598821
Molecular FormulaC38H25N5
Molecular Weight551.65 g/mol
Exact Mass551.21
IUPAC Name2-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc(N(c2ccc(-n3ccc4ccccc43)cc2)c2ccc(-n3ccc4ccccc43)cc2)cc1
InChIInChI=1S/C38H25N5/c39-26-29(27-40)25-28-9-11-34(12-10-28)43(35-17-13-32(14-18-35)41-23-21-30-5-1-3-7-37(30)41)36-19-15-33(16-20-36)42-24-22-31-6-2-4-8-38(31)42/h1-25H
InChIKeyGWDDFUDCEYWIDF-UHFFFAOYSA-N
XLogP9.47
TPSA60.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 2-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]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-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]propanedinitrile?
The IUPAC name of 2-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]propanedinitrile (CID 132598821) is 2-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]propanedinitrile is N#CC(C#N)=Cc1ccc(N(c2ccc(-n3ccc4ccccc43)cc2)c2ccc(-n3ccc4ccccc43)cc2)cc1.
What is the InChIKey of 2-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]propanedinitrile?
The InChIKey is GWDDFUDCEYWIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5/c39-26-29(27-40)25-28-9-11-34(12-10-28)43(35-17-13-32(14-18-35)41-23-21-30-5-1-3-7-37(30)41)36-19-15-33(16-20-36)42-24-22-31-6-2-4-8-38(31)42/h1-25H.
What are the key properties of 2-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]propanedinitrile?
2-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]propanedinitrile has a molecular weight of 551.65 g/mol, XLogP of 9.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-indol-1-yl-N-(4-indol-1-ylphenyl)anilino)phenyl]methylidene]propanedinitrile is sourced from PubChem (CID 132598821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).