3-[2,3-bis(3-aminophenyl)phenyl]phenol

C24H20N2O — CID 139931818

IUPAC3-[2,3-bis(3-aminophenyl)phenyl]phenol
SMILESNc1cccc(-c2cccc(-c3cccc(O)c3)c2-c2cccc(N)c2)c1
InChIInChI=1S/C24H20N2O/c25-19-8-1-5-16(13-19)22-11-4-12-23(17-6-3-10-21(27)15-17)24(22)18-7-2-9-20(26)14-18/h1-15,27H,25-26H2
InChIKeyKKVSINGUHBVXAH-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.56
Rot. Bonds3

About 3-[2,3-bis(3-aminophenyl)phenyl]phenol

3-[2,3-bis(3-aminophenyl)phenyl]phenol (PubChem CID 139931818) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[2,3-bis(3-aminophenyl)phenyl]phenol.

Molecular Properties

Compound Name3-[2,3-bis(3-aminophenyl)phenyl]phenol
PubChem CID139931818
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name3-[2,3-bis(3-aminophenyl)phenyl]phenol
SMILESNc1cccc(-c2cccc(-c3cccc(O)c3)c2-c2cccc(N)c2)c1
InChIInChI=1S/C24H20N2O/c25-19-8-1-5-16(13-19)22-11-4-12-23(17-6-3-10-21(27)15-17)24(22)18-7-2-9-20(26)14-18/h1-15,27H,25-26H2
InChIKeyKKVSINGUHBVXAH-UHFFFAOYSA-N
XLogP5.56
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2,3-bis(3-aminophenyl)phenyl]phenol 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 3-[2,3-bis(3-aminophenyl)phenyl]phenol?
The IUPAC name of 3-[2,3-bis(3-aminophenyl)phenyl]phenol (CID 139931818) is 3-[2,3-bis(3-aminophenyl)phenyl]phenol.
What is the SMILES notation for 3-[2,3-bis(3-aminophenyl)phenyl]phenol?
The canonical SMILES for 3-[2,3-bis(3-aminophenyl)phenyl]phenol is Nc1cccc(-c2cccc(-c3cccc(O)c3)c2-c2cccc(N)c2)c1.
What is the InChIKey of 3-[2,3-bis(3-aminophenyl)phenyl]phenol?
The InChIKey is KKVSINGUHBVXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c25-19-8-1-5-16(13-19)22-11-4-12-23(17-6-3-10-21(27)15-17)24(22)18-7-2-9-20(26)14-18/h1-15,27H,25-26H2.
What are the key properties of 3-[2,3-bis(3-aminophenyl)phenyl]phenol?
3-[2,3-bis(3-aminophenyl)phenyl]phenol has a molecular weight of 352.44 g/mol, XLogP of 5.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-bis(3-aminophenyl)phenyl]phenol is sourced from PubChem (CID 139931818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).