[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone

C26H16N2O7 — CID 14344371

IUPAC[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc(Oc2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H16N2O7/c29-25(17-1-9-21(10-2-17)27(31)32)19-5-13-23(14-6-19)35-24-15-7-20(8-16-24)26(30)18-3-11-22(12-4-18)28(33)34/h1-16H
InChIKeyWILHNSNCNBLELE-UHFFFAOYSA-N
MW468.42 g/mol
LogP5.76
Rot. Bonds8

About [4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone

[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone (PubChem CID 14344371) has the molecular formula C26H16N2O7 and a molecular weight of 468.42 g/mol. Its IUPAC name is [4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
PubChem CID14344371
Molecular FormulaC26H16N2O7
Molecular Weight468.42 g/mol
Exact Mass468.10
IUPAC Name[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc(Oc2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H16N2O7/c29-25(17-1-9-21(10-2-17)27(31)32)19-5-13-23(14-6-19)35-24-15-7-20(8-16-24)26(30)18-3-11-22(12-4-18)28(33)34/h1-16H
InChIKeyWILHNSNCNBLELE-UHFFFAOYSA-N
XLogP5.76
TPSA129.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.42
LogP ≤ 55.76
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-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone
CID 139719116
[3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium
CID 88696344
2-chloro-1-[4-(4-nitrophenoxy)phenyl]ethanone
CID 93192486
2-bromo-1-[4-(4-nitrophenoxy)phenyl]ethanone
CID 87060508
[3,4-bis(4-nitrophenoxy)phenyl]-phenylmethanone
CID 139816675
4-(4-nitrobenzoyl)benzoate
CID 6943506
(4-benzoylphenyl) 4-nitrobenzoate
CID 2678928
(4-nitrophenyl)-(4-sulfanylphenyl)methanone
CID 14374022
methyl 4-(4-nitrobenzoyl)benzoate
CID 596153
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone?
The IUPAC name of [4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone (CID 14344371) is [4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone.
What is the SMILES notation for [4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone?
The canonical SMILES for [4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone is O=C(c1ccc(Oc2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone?
The InChIKey is WILHNSNCNBLELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O7/c29-25(17-1-9-21(10-2-17)27(31)32)19-5-13-23(14-6-19)35-24-15-7-20(8-16-24)26(30)18-3-11-22(12-4-18)28(33)34/h1-16H.
What are the key properties of [4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone?
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone has a molecular weight of 468.42 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone is sourced from PubChem (CID 14344371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).