bis(4-amino-2-phenylphenyl)methanone

C25H20N2O — CID 70118096

IUPACbis(4-amino-2-phenylphenyl)methanone
SMILESNc1ccc(C(=O)c2ccc(N)cc2-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C25H20N2O/c26-19-11-13-21(23(15-19)17-7-3-1-4-8-17)25(28)22-14-12-20(27)16-24(22)18-9-5-2-6-10-18/h1-16H,26-27H2
InChIKeyNVVUUZYGHQLNQW-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.42
Rot. Bonds4

About bis(4-amino-2-phenylphenyl)methanone

bis(4-amino-2-phenylphenyl)methanone (PubChem CID 70118096) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is bis(4-amino-2-phenylphenyl)methanone.

Molecular Properties

Compound Namebis(4-amino-2-phenylphenyl)methanone
PubChem CID70118096
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Namebis(4-amino-2-phenylphenyl)methanone
SMILESNc1ccc(C(=O)c2ccc(N)cc2-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C25H20N2O/c26-19-11-13-21(23(15-19)17-7-3-1-4-8-17)25(28)22-14-12-20(27)16-24(22)18-9-5-2-6-10-18/h1-16H,26-27H2
InChIKeyNVVUUZYGHQLNQW-UHFFFAOYSA-N
XLogP5.42
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-2-phenylbenzoate
CID 15406988
(3-aminophenyl)-(2-phenylphenyl)methanone
CID 159233114
4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985
carbamic acid;3-methyl-4-phenylaniline
CID 175552466
4-amino-2-(3-methoxyphenyl)benzoic acid
CID 82293595
4-amino-2-benzoylbenzoic acid
CID 21494601
4-amino-2-phenylbenzenesulfonyl fluoride
CID 142017991
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
4-amino-2-(4-ethoxyphenyl)benzoic acid
CID 82299863
3,4,5-triphenylaniline
CID 123249258
3-phenyl-4-(sulfinylamino)aniline
CID 141249434
4-chloro-2-phenylbenzoic acid
CID 11424784

Frequently Asked Questions

What is the IUPAC name of bis(4-amino-2-phenylphenyl)methanone?
The IUPAC name of bis(4-amino-2-phenylphenyl)methanone (CID 70118096) is bis(4-amino-2-phenylphenyl)methanone.
What is the SMILES notation for bis(4-amino-2-phenylphenyl)methanone?
The canonical SMILES for bis(4-amino-2-phenylphenyl)methanone is Nc1ccc(C(=O)c2ccc(N)cc2-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of bis(4-amino-2-phenylphenyl)methanone?
The InChIKey is NVVUUZYGHQLNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c26-19-11-13-21(23(15-19)17-7-3-1-4-8-17)25(28)22-14-12-20(27)16-24(22)18-9-5-2-6-10-18/h1-16H,26-27H2.
What are the key properties of bis(4-amino-2-phenylphenyl)methanone?
bis(4-amino-2-phenylphenyl)methanone has a molecular weight of 364.45 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-amino-2-phenylphenyl)methanone is sourced from PubChem (CID 70118096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).