(4-amino-2,3-diphenylphenyl)-phenylmethanone

C25H19NO — CID 70223924

IUPAC(4-amino-2,3-diphenylphenyl)-phenylmethanone
SMILESNc1ccc(C(=O)c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H19NO/c26-22-17-16-21(25(27)20-14-8-3-9-15-20)23(18-10-4-1-5-11-18)24(22)19-12-6-2-7-13-19/h1-17H,26H2
InChIKeyNBHVQGPEUMHOFE-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.83
Rot. Bonds4

About (4-amino-2,3-diphenylphenyl)-phenylmethanone

(4-amino-2,3-diphenylphenyl)-phenylmethanone (PubChem CID 70223924) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is (4-amino-2,3-diphenylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-amino-2,3-diphenylphenyl)-phenylmethanone
PubChem CID70223924
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name(4-amino-2,3-diphenylphenyl)-phenylmethanone
SMILESNc1ccc(C(=O)c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H19NO/c26-22-17-16-21(25(27)20-14-8-3-9-15-20)23(18-10-4-1-5-11-18)24(22)19-12-6-2-7-13-19/h1-17H,26H2
InChIKeyNBHVQGPEUMHOFE-UHFFFAOYSA-N
XLogP5.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-diamino-3-benzoylphenyl)-phenylmethanone
CID 70481575
(2-aminophenyl)-phenylmethanone
CID 158207972
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
3-(4-carboxybenzoyl)-2,6-diphenylbenzoic acid
CID 54084972
2,3-diphenylbenzene-1,4-dicarbothioic S-acid
CID 21461059
diphenylmethanone
CID 3102
(4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone
CID 3042145
4-amino-2-benzoylbenzoic acid
CID 21494601
phenyl-(4-phenylphenyl)methanone
CID 155775877
aminophosphonous acid;diphenylmethanone
CID 70010429
(2-hydroxy-5-methoxy-3,4-diphenylphenyl)-phenylmethanone
CID 10948907
[2-amino-5-(1-hydroxyethyl)phenyl]-phenylmethanone
CID 154157308

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,3-diphenylphenyl)-phenylmethanone?
The IUPAC name of (4-amino-2,3-diphenylphenyl)-phenylmethanone (CID 70223924) is (4-amino-2,3-diphenylphenyl)-phenylmethanone.
What is the SMILES notation for (4-amino-2,3-diphenylphenyl)-phenylmethanone?
The canonical SMILES for (4-amino-2,3-diphenylphenyl)-phenylmethanone is Nc1ccc(C(=O)c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (4-amino-2,3-diphenylphenyl)-phenylmethanone?
The InChIKey is NBHVQGPEUMHOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO/c26-22-17-16-21(25(27)20-14-8-3-9-15-20)23(18-10-4-1-5-11-18)24(22)19-12-6-2-7-13-19/h1-17H,26H2.
What are the key properties of (4-amino-2,3-diphenylphenyl)-phenylmethanone?
(4-amino-2,3-diphenylphenyl)-phenylmethanone has a molecular weight of 349.43 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,3-diphenylphenyl)-phenylmethanone is sourced from PubChem (CID 70223924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).