[2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone

C23H15NO3 — CID 46928614

IUPAC[2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c(-c2cccc([N+](=O)[O-])c2)ccc2ccccc12
InChIInChI=1S/C23H15NO3/c25-23(17-8-2-1-3-9-17)22-20-12-5-4-7-16(20)13-14-21(22)18-10-6-11-19(15-18)24(26)27/h1-15H
InChIKeyMRHBFKDEQPIDIC-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.65
Rot. Bonds4

About [2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone

[2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone (PubChem CID 46928614) has the molecular formula C23H15NO3 and a molecular weight of 353.38 g/mol. Its IUPAC name is [2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone
PubChem CID46928614
Molecular FormulaC23H15NO3
Molecular Weight353.38 g/mol
Exact Mass353.11
IUPAC Name[2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c(-c2cccc([N+](=O)[O-])c2)ccc2ccccc12
InChIInChI=1S/C23H15NO3/c25-23(17-8-2-1-3-9-17)22-20-12-5-4-7-16(20)13-14-21(22)18-10-6-11-19(15-18)24(26)27/h1-15H
InChIKeyMRHBFKDEQPIDIC-UHFFFAOYSA-N
XLogP5.65
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
3-naphthalen-1-yl-5-(3-nitrophenyl)phenol
CID 10640969
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
4-(3-nitrophenyl)quinoline-2-carboxamide
CID 70487298
2-(1-carbamoylnaphthalen-2-yl)-4-nitrobenzoic acid
CID 70189647
3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline
CID 25208156
[2-(2-hydroxynaphthalen-1-yl)-3-(3-nitrophenyl)phenyl]urea
CID 156613284
(3-nitrophenyl)-phenylmethanone;thiourea
CID 174541528
formic acid;1-nitro-3-phenylbenzene
CID 158057338
benzoyl bromide;1,3-dinitrobenzene
CID 174634067
[3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone
CID 102418781
4-(3-nitrobenzoyl)benzoic acid
CID 803392

Frequently Asked Questions

What is the IUPAC name of [2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone?
The IUPAC name of [2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone (CID 46928614) is [2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone.
What is the SMILES notation for [2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone?
The canonical SMILES for [2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone is O=C(c1ccccc1)c1c(-c2cccc([N+](=O)[O-])c2)ccc2ccccc12.
What is the InChIKey of [2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone?
The InChIKey is MRHBFKDEQPIDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO3/c25-23(17-8-2-1-3-9-17)22-20-12-5-4-7-16(20)13-14-21(22)18-10-6-11-19(15-18)24(26)27/h1-15H.
What are the key properties of [2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone?
[2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone has a molecular weight of 353.38 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone is sourced from PubChem (CID 46928614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).