4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline

C28H24N2 — CID 66757843

IUPAC4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline
SMILESNc1ccc(-c2ccc(N)c(C=Cc3ccccc3)c2C=Cc2ccccc2)cc1
InChIInChI=1S/C28H24N2/c29-24-15-13-23(14-16-24)25-19-20-28(30)27(18-12-22-9-5-2-6-10-22)26(25)17-11-21-7-3-1-4-8-21/h1-20H,29-30H2
InChIKeyZGPAOZYBUBNZDI-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.86
Rot. Bonds5

About 4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline

4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline (PubChem CID 66757843) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline
PubChem CID66757843
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline
SMILESNc1ccc(-c2ccc(N)c(C=Cc3ccccc3)c2C=Cc2ccccc2)cc1
InChIInChI=1S/C28H24N2/c29-24-15-13-23(14-16-24)25-19-20-28(30)27(18-12-22-9-5-2-6-10-22)26(25)17-11-21-7-3-1-4-8-21/h1-20H,29-30H2
InChIKeyZGPAOZYBUBNZDI-UHFFFAOYSA-N
XLogP6.86
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline 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 4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline?
The IUPAC name of 4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline (CID 66757843) is 4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline.
What is the SMILES notation for 4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline?
The canonical SMILES for 4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline is Nc1ccc(-c2ccc(N)c(C=Cc3ccccc3)c2C=Cc2ccccc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline?
The InChIKey is ZGPAOZYBUBNZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2/c29-24-15-13-23(14-16-24)25-19-20-28(30)27(18-12-22-9-5-2-6-10-22)26(25)17-11-21-7-3-1-4-8-21/h1-20H,29-30H2.
What are the key properties of 4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline?
4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline has a molecular weight of 388.51 g/mol, XLogP of 6.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline is sourced from PubChem (CID 66757843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).