(3,4-dinitrophenyl)-(3-nitrophenyl)methanone

C13H7N3O7 — CID 3092902

IUPAC(3,4-dinitrophenyl)-(3-nitrophenyl)methanone
SMILESO=C(c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C13H7N3O7/c17-13(8-2-1-3-10(6-8)14(18)19)9-4-5-11(15(20)21)12(7-9)16(22)23/h1-7H
InChIKeyGOQBKPXZXDTRJY-UHFFFAOYSA-N
MW317.21 g/mol
LogP2.64
Rot. Bonds5

About (3,4-dinitrophenyl)-(3-nitrophenyl)methanone

(3,4-dinitrophenyl)-(3-nitrophenyl)methanone (PubChem CID 3092902) has the molecular formula C13H7N3O7 and a molecular weight of 317.21 g/mol. Its IUPAC name is (3,4-dinitrophenyl)-(3-nitrophenyl)methanone.

Molecular Properties

Compound Name(3,4-dinitrophenyl)-(3-nitrophenyl)methanone
PubChem CID3092902
Molecular FormulaC13H7N3O7
Molecular Weight317.21 g/mol
Exact Mass317.03
IUPAC Name(3,4-dinitrophenyl)-(3-nitrophenyl)methanone
SMILESO=C(c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C13H7N3O7/c17-13(8-2-1-3-10(6-8)14(18)19)9-4-5-11(15(20)21)12(7-9)16(22)23/h1-7H
InChIKeyGOQBKPXZXDTRJY-UHFFFAOYSA-N
XLogP2.64
TPSA146.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(3-nitrobenzoyl)benzoic acid
CID 803392
(3,4-dimethylphenyl)-(3-nitrophenyl)methanone
CID 3084858
4-(3-nitrobenzoyl)phthalate
CID 4097482
(3-nitrophenyl)-phenylmethanone;thiourea
CID 174541528
[6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone
CID 86047194
3-nitrobenzoyl iodide
CID 87511250
4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide
CID 3381280
bis(4-amino-3-nitrophenyl)methanone;dihydrochloride
CID 143823291
(3-nitrobenzoyl) 3-nitrobenzoate
CID 11001597
2-(3-nitrobenzoyl)benzoyl chloride
CID 86186966
(3-fluorophenyl)-(4-nitrophenyl)methanone
CID 24722816
(3-amino-4-nitrophenyl)-phenylmethanone
CID 4017647

Frequently Asked Questions

What is the IUPAC name of (3,4-dinitrophenyl)-(3-nitrophenyl)methanone?
The IUPAC name of (3,4-dinitrophenyl)-(3-nitrophenyl)methanone (CID 3092902) is (3,4-dinitrophenyl)-(3-nitrophenyl)methanone.
What is the SMILES notation for (3,4-dinitrophenyl)-(3-nitrophenyl)methanone?
The canonical SMILES for (3,4-dinitrophenyl)-(3-nitrophenyl)methanone is O=C(c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1.
What is the InChIKey of (3,4-dinitrophenyl)-(3-nitrophenyl)methanone?
The InChIKey is GOQBKPXZXDTRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3O7/c17-13(8-2-1-3-10(6-8)14(18)19)9-4-5-11(15(20)21)12(7-9)16(22)23/h1-7H.
What are the key properties of (3,4-dinitrophenyl)-(3-nitrophenyl)methanone?
(3,4-dinitrophenyl)-(3-nitrophenyl)methanone has a molecular weight of 317.21 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dinitrophenyl)-(3-nitrophenyl)methanone is sourced from PubChem (CID 3092902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).