[2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone

C23H17NO — CID 174765161

IUPAC[2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone
SMILESNc1cc2ccccc2cc1-c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C23H17NO/c24-22-15-18-11-5-4-10-17(18)14-21(22)19-12-6-7-13-20(19)23(25)16-8-2-1-3-9-16/h1-15H,24H2
InChIKeyVCDQCWXOXRUUOA-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.32
Rot. Bonds3

About [2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone

[2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone (PubChem CID 174765161) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is [2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone
PubChem CID174765161
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC Name[2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone
SMILESNc1cc2ccccc2cc1-c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C23H17NO/c24-22-15-18-11-5-4-10-17(18)14-21(22)19-12-6-7-13-20(19)23(25)16-8-2-1-3-9-16/h1-15H,24H2
InChIKeyVCDQCWXOXRUUOA-UHFFFAOYSA-N
XLogP5.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.32
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-(2-amino-5-chlorophenyl)phenyl]-phenylmethanone
CID 139344273
(2-aminophenyl)-phenylmethanone
CID 158207972
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
CID 174608573
anthracene;diphenylmethanone
CID 87408663
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
[2-(2-ethenylphenyl)phenyl]-phenylmethanone
CID 71373352
(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone
CID 116560369
(3-aminophenyl)-(2-phenylphenyl)methanone
CID 159233114
[2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone
CID 166012594
bis[2-(2-amino-5-methylphenyl)phenyl]methanone
CID 139990315
(3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone
CID 116560466

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone?
The IUPAC name of [2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone (CID 174765161) is [2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone is Nc1cc2ccccc2cc1-c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone?
The InChIKey is VCDQCWXOXRUUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO/c24-22-15-18-11-5-4-10-17(18)14-21(22)19-12-6-7-13-20(19)23(25)16-8-2-1-3-9-16/h1-15H,24H2.
What are the key properties of [2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone?
[2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone has a molecular weight of 323.40 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 174765161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).