[3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone

C20H11N3O10 — CID 166446115

IUPAC[3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone
SMILESO=C(c1cc(C(=O)c2cc([N+](=O)[O-])ccc2O)cc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C20H11N3O10/c24-17-3-1-12(21(28)29)8-15(17)19(26)10-5-11(7-14(6-10)23(32)33)20(27)16-9-13(22(30)31)2-4-18(16)25/h1-9,24-25H
InChIKeyLETARHQUAIIOIC-UHFFFAOYSA-N
MW453.32 g/mol
LogP3.28
Rot. Bonds7

About [3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone

[3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone (PubChem CID 166446115) has the molecular formula C20H11N3O10 and a molecular weight of 453.32 g/mol. Its IUPAC name is [3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone
PubChem CID166446115
Molecular FormulaC20H11N3O10
Molecular Weight453.32 g/mol
Exact Mass453.04
IUPAC Name[3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone
SMILESO=C(c1cc(C(=O)c2cc([N+](=O)[O-])ccc2O)cc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C20H11N3O10/c24-17-3-1-12(21(28)29)8-15(17)19(26)10-5-11(7-14(6-10)23(32)33)20(27)16-9-13(22(30)31)2-4-18(16)25/h1-9,24-25H
InChIKeyLETARHQUAIIOIC-UHFFFAOYSA-N
XLogP3.28
TPSA204.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

[3-(4-hydroxybenzoyl)-5-nitrophenyl]-(4-hydroxyphenyl)methanone
CID 12070506
1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one
CID 13157008
2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid
CID 151467946
1-(2-hydroxy-5-nitrophenyl)ethanethione
CID 136728864
1-(2-hydroxy-5-nitrophenyl)butan-1-one
CID 23019315
oxobismuthanyl 2-hydroxy-5-nitrobenzoate
CID 16688295
2-hydroxy-5-(4-nitrobenzoyl)benzoic acid
CID 151278706
N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide
CID 3351512
4-nitro-2-(3-nitrobenzenecarboximidoyl)phenol
CID 135580954
N'-acetyl-2-hydroxy-5-nitrobenzohydrazide
CID 102383620
(2-amino-5-bromophenyl)-(3,5-dinitrophenyl)methanone
CID 4710857
N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide
CID 72707126

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone?
The IUPAC name of [3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone (CID 166446115) is [3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone.
What is the SMILES notation for [3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone?
The canonical SMILES for [3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone is O=C(c1cc(C(=O)c2cc([N+](=O)[O-])ccc2O)cc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of [3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone?
The InChIKey is LETARHQUAIIOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N3O10/c24-17-3-1-12(21(28)29)8-15(17)19(26)10-5-11(7-14(6-10)23(32)33)20(27)16-9-13(22(30)31)2-4-18(16)25/h1-9,24-25H.
What are the key properties of [3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone?
[3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone has a molecular weight of 453.32 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone is sourced from PubChem (CID 166446115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).