(4-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol

C32H29N3O — CID 42552744

IUPAC(4-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol
SMILESCc1cc(C(O)(c2ccc(Nc3ccccc3)cc2)c2ccc(Nc3ccccc3)cc2)ccc1N
InChIInChI=1S/C32H29N3O/c1-23-22-26(16-21-31(23)33)32(36,24-12-17-29(18-13-24)34-27-8-4-2-5-9-27)25-14-19-30(20-15-25)35-28-10-6-3-7-11-28/h2-22,34-36H,33H2,1H3
InChIKeyVDIZWFYPRKKVBY-UHFFFAOYSA-N
MW471.60 g/mol
LogP7.35
Rot. Bonds7

About (4-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol

(4-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol (PubChem CID 42552744) has the molecular formula C32H29N3O and a molecular weight of 471.60 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol
PubChem CID42552744
Molecular FormulaC32H29N3O
Molecular Weight471.60 g/mol
Exact Mass471.23
IUPAC Name(4-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol
SMILESCc1cc(C(O)(c2ccc(Nc3ccccc3)cc2)c2ccc(Nc3ccccc3)cc2)ccc1N
InChIInChI=1S/C32H29N3O/c1-23-22-26(16-21-31(23)33)32(36,24-12-17-29(18-13-24)34-27-8-4-2-5-9-27)25-14-19-30(20-15-25)35-28-10-6-3-7-11-28/h2-22,34-36H,33H2,1H3
InChIKeyVDIZWFYPRKKVBY-UHFFFAOYSA-N
XLogP7.35
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 57.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol 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-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol?
The IUPAC name of (4-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol (CID 42552744) is (4-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol.
What is the SMILES notation for (4-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol?
The canonical SMILES for (4-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol is Cc1cc(C(O)(c2ccc(Nc3ccccc3)cc2)c2ccc(Nc3ccccc3)cc2)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol?
The InChIKey is VDIZWFYPRKKVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O/c1-23-22-26(16-21-31(23)33)32(36,24-12-17-29(18-13-24)34-27-8-4-2-5-9-27)25-14-19-30(20-15-25)35-28-10-6-3-7-11-28/h2-22,34-36H,33H2,1H3.
What are the key properties of (4-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol?
(4-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol has a molecular weight of 471.60 g/mol, XLogP of 7.35, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-bis(4-anilinophenyl)methanol is sourced from PubChem (CID 42552744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).