[3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium

C26H16N2O7Pd — CID 88696344

IUPAC[3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1cccc(Oc2cccc(C(=O)c3ccc([N+](=O)[O-])cc3)c2)c1.[Pd]
InChIInChI=1S/C26H16N2O7.Pd/c29-25(17-7-11-21(12-8-17)27(31)32)19-3-1-5-23(15-19)35-24-6-2-4-20(16-24)26(30)18-9-13-22(14-10-18)28(33)34;/h1-16H;
InChIKeyIVHKGNJXNOFXGE-UHFFFAOYSA-N
MW574.84 g/mol
LogP5.75
Rot. Bonds8

About [3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium

[3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium (PubChem CID 88696344) has the molecular formula C26H16N2O7Pd and a molecular weight of 574.84 g/mol. Its IUPAC name is [3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium.

Molecular Properties

Compound Name[3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium
PubChem CID88696344
Molecular FormulaC26H16N2O7Pd
Molecular Weight574.84 g/mol
Exact Mass574.00
IUPAC Name[3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1cccc(Oc2cccc(C(=O)c3ccc([N+](=O)[O-])cc3)c2)c1.[Pd]
InChIInChI=1S/C26H16N2O7.Pd/c29-25(17-7-11-21(12-8-17)27(31)32)19-3-1-5-23(15-19)35-24-6-2-4-20(16-24)26(30)18-9-13-22(14-10-18)28(33)34;/h1-16H;
InChIKeyIVHKGNJXNOFXGE-UHFFFAOYSA-N
XLogP5.75
TPSA129.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.84
LogP ≤ 55.75
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-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
3-(4-nitrophenoxy)benzoate
CID 3680439
(3-fluorophenyl)-(4-nitrophenyl)methanone
CID 24722816
[3,4-bis(4-nitrophenoxy)phenyl]-phenylmethanone
CID 139816675
(4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone
CID 139719116
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
4-(3-nitrobenzoyl)benzoic acid
CID 803392
(4-benzoylphenyl) 4-nitrobenzoate
CID 2678928
dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;(4-nitrophenyl)-phenylmethanone
CID 174857907
benzyl 3-(4-nitrophenoxy)benzoate
CID 957442

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium?
The IUPAC name of [3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium (CID 88696344) is [3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium.
What is the SMILES notation for [3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium?
The canonical SMILES for [3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium is O=C(c1ccc([N+](=O)[O-])cc1)c1cccc(Oc2cccc(C(=O)c3ccc([N+](=O)[O-])cc3)c2)c1.[Pd].
What is the InChIKey of [3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium?
The InChIKey is IVHKGNJXNOFXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O7.Pd/c29-25(17-7-11-21(12-8-17)27(31)32)19-3-1-5-23(15-19)35-24-6-2-4-20(16-24)26(30)18-9-13-22(14-10-18)28(33)34;/h1-16H;.
What are the key properties of [3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium?
[3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium has a molecular weight of 574.84 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium is sourced from PubChem (CID 88696344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).