(3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one

C31H28N2O3 — CID 88532089

IUPAC(3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one
SMILESO=C(C/C(C/C(=N\OCc1ccccc1)c1ccccc1)=N\OCc1ccccc1)c1ccccc1
InChIInChI=1S/C31H28N2O3/c34-31(28-19-11-4-12-20-28)22-29(32-35-23-25-13-5-1-6-14-25)21-30(27-17-9-3-10-18-27)33-36-24-26-15-7-2-8-16-26/h1-20H,21-24H2/b32-29-,33-30+
InChIKeyRXZRAWWGVXJERM-IUNIZMNESA-N
MW476.58 g/mol
LogP6.84
Rot. Bonds12

About (3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one

(3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one (PubChem CID 88532089) has the molecular formula C31H28N2O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is (3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one.

Molecular Properties

Compound Name(3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one
PubChem CID88532089
Molecular FormulaC31H28N2O3
Molecular Weight476.58 g/mol
Exact Mass476.21
IUPAC Name(3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one
SMILESO=C(C/C(C/C(=N\OCc1ccccc1)c1ccccc1)=N\OCc1ccccc1)c1ccccc1
InChIInChI=1S/C31H28N2O3/c34-31(28-19-11-4-12-20-28)22-29(32-35-23-25-13-5-1-6-14-25)21-30(27-17-9-3-10-18-27)33-36-24-26-15-7-2-8-16-26/h1-20H,21-24H2/b32-29-,33-30+
InChIKeyRXZRAWWGVXJERM-IUNIZMNESA-N
XLogP6.84
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine
CID 87328446
(4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one
CID 88532291
1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine
CID 87328837
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
3-[(Z)-N'-phenylmethoxycarbamimidoyl]benzoic acid
CID 142953452
(diaminomethylideneamino) 3-oxo-3-phenylpropanoate
CID 174282226
1,2-diphenylethanone;diphenylmethanone
CID 141067729
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
methyl (2Z)-3-oxo-2-phenylmethoxyiminobutanoate
CID 10868261
(3-oxo-3-phenylpropanoyl) 3-oxo-3-phenylpropanoate
CID 87499200
(2R)-2-deuterio-1,2-diphenylethanone
CID 138962790

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one?
The IUPAC name of (3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one (CID 88532089) is (3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one.
What is the SMILES notation for (3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one?
The canonical SMILES for (3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one is O=C(C/C(C/C(=N\OCc1ccccc1)c1ccccc1)=N\OCc1ccccc1)c1ccccc1.
What is the InChIKey of (3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one?
The InChIKey is RXZRAWWGVXJERM-IUNIZMNESA-N. The full InChI is InChI=1S/C31H28N2O3/c34-31(28-19-11-4-12-20-28)22-29(32-35-23-25-13-5-1-6-14-25)21-30(27-17-9-3-10-18-27)33-36-24-26-15-7-2-8-16-26/h1-20H,21-24H2/b32-29-,33-30+.
What are the key properties of (3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one?
(3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one has a molecular weight of 476.58 g/mol, XLogP of 6.84, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one is sourced from PubChem (CID 88532089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).