1,6-diphenyl-5-phenylmethoxyiminohexan-3-one

C25H25NO2 — CID 54114312

IUPAC1,6-diphenyl-5-phenylmethoxyiminohexan-3-one
SMILESO=C(CCc1ccccc1)CC(Cc1ccccc1)=NOCc1ccccc1
InChIInChI=1S/C25H25NO2/c27-25(17-16-21-10-4-1-5-11-21)19-24(18-22-12-6-2-7-13-22)26-28-20-23-14-8-3-9-15-23/h1-15H,16-20H2
InChIKeyNJGVJRJQDXCFMO-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.39
Rot. Bonds10

About 1,6-diphenyl-5-phenylmethoxyiminohexan-3-one

1,6-diphenyl-5-phenylmethoxyiminohexan-3-one (PubChem CID 54114312) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1,6-diphenyl-5-phenylmethoxyiminohexan-3-one.

Molecular Properties

Compound Name1,6-diphenyl-5-phenylmethoxyiminohexan-3-one
PubChem CID54114312
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name1,6-diphenyl-5-phenylmethoxyiminohexan-3-one
SMILESO=C(CCc1ccccc1)CC(Cc1ccccc1)=NOCc1ccccc1
InChIInChI=1S/C25H25NO2/c27-25(17-16-21-10-4-1-5-11-21)19-24(18-22-12-6-2-7-13-22)26-28-20-23-14-8-3-9-15-23/h1-15H,16-20H2
InChIKeyNJGVJRJQDXCFMO-UHFFFAOYSA-N
XLogP5.39
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1,6-diphenyl-5-phenylmethoxyiminohexan-3-one?
The IUPAC name of 1,6-diphenyl-5-phenylmethoxyiminohexan-3-one (CID 54114312) is 1,6-diphenyl-5-phenylmethoxyiminohexan-3-one.
What is the SMILES notation for 1,6-diphenyl-5-phenylmethoxyiminohexan-3-one?
The canonical SMILES for 1,6-diphenyl-5-phenylmethoxyiminohexan-3-one is O=C(CCc1ccccc1)CC(Cc1ccccc1)=NOCc1ccccc1.
What is the InChIKey of 1,6-diphenyl-5-phenylmethoxyiminohexan-3-one?
The InChIKey is NJGVJRJQDXCFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c27-25(17-16-21-10-4-1-5-11-21)19-24(18-22-12-6-2-7-13-22)26-28-20-23-14-8-3-9-15-23/h1-15H,16-20H2.
What are the key properties of 1,6-diphenyl-5-phenylmethoxyiminohexan-3-one?
1,6-diphenyl-5-phenylmethoxyiminohexan-3-one has a molecular weight of 371.48 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diphenyl-5-phenylmethoxyiminohexan-3-one is sourced from PubChem (CID 54114312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).