[3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone

C23H15NO3 — CID 102418781

IUPAC[3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2ccc([N+](=O)[O-])cc2)cc2ccccc12
InChIInChI=1S/C23H15NO3/c25-23(17-6-2-1-3-7-17)22-15-19(14-18-8-4-5-9-21(18)22)16-10-12-20(13-11-16)24(26)27/h1-15H
InChIKeyWJZUIIPTOOHDKT-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.65
Rot. Bonds4

About [3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone

[3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone (PubChem CID 102418781) has the molecular formula C23H15NO3 and a molecular weight of 353.38 g/mol. Its IUPAC name is [3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone
PubChem CID102418781
Molecular FormulaC23H15NO3
Molecular Weight353.38 g/mol
Exact Mass353.11
IUPAC Name[3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2ccc([N+](=O)[O-])cc2)cc2ccccc12
InChIInChI=1S/C23H15NO3/c25-23(17-6-2-1-3-7-17)22-15-19(14-18-8-4-5-9-21(18)22)16-10-12-20(13-11-16)24(26)27/h1-15H
InChIKeyWJZUIIPTOOHDKT-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

4-(4-nitrophenyl)naphthalene-2-carboxylic acid
CID 174446453
diphenylmethanone;1-methyl-4-nitrobenzene
CID 160968328
(3-methoxyphenyl)-(3-phenylnaphthalen-1-yl)methanone
CID 44542422
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
(4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone
CID 137346253
(2-methyl-4-nitrophenyl)-phenylmethanone
CID 12846491
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
[2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone
CID 174903264
1-(4-benzoylnaphthalen-2-yl)ethanone
CID 11311862
(3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone
CID 169324752
[2-methylsulfanyl-5-(4-nitrophenyl)furan-3-yl]-phenylmethanone
CID 25104776

Frequently Asked Questions

What is the IUPAC name of [3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone?
The IUPAC name of [3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone (CID 102418781) is [3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone.
What is the SMILES notation for [3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone?
The canonical SMILES for [3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone is O=C(c1ccccc1)c1cc(-c2ccc([N+](=O)[O-])cc2)cc2ccccc12.
What is the InChIKey of [3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone?
The InChIKey is WJZUIIPTOOHDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO3/c25-23(17-6-2-1-3-7-17)22-15-19(14-18-8-4-5-9-21(18)22)16-10-12-20(13-11-16)24(26)27/h1-15H.
What are the key properties of [3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone?
[3-(4-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 [3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone is sourced from PubChem (CID 102418781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).