4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one

C20H15NO — CID 58611409

IUPAC4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one
SMILESO=C1C=CC(=CN=C(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C20H15NO/c22-19-13-11-16(12-14-19)15-21-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H
InChIKeyDXTGOKDQXMHTQG-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.10
Rot. Bonds3

About 4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one

4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one (PubChem CID 58611409) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one
PubChem CID58611409
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one
SMILESO=C1C=CC(=CN=C(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C20H15NO/c22-19-13-11-16(12-14-19)15-21-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H
InChIKeyDXTGOKDQXMHTQG-UHFFFAOYSA-N
XLogP4.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexa-2,5-diene-1,4-dione;phenol
CID 67783364
benzoic acid;formic acid
CID 175360098
benzoic acid;formic acid
CID 141027688
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(E)-but-2-enedioic acid;cyclohexa-2,5-diene-1,4-dione
CID 67262273
4-(benzenesulfonylmethylidene)cyclohexa-2,5-dien-1-one
CID 131848252
[2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate
CID 118304725
3-(benzhydrylideneamino)propanal
CID 11447740
diphenylmethanone;propanal
CID 159329764
2-(benzhydrylideneamino)acetic acid
CID 118304722
(benzhydrylideneamino) hydrogen carbonate
CID 91323284
benzene;benzoic acid;formic acid;hydrate
CID 141387822

Frequently Asked Questions

What is the IUPAC name of 4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one (CID 58611409) is 4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one is O=C1C=CC(=CN=C(c2ccccc2)c2ccccc2)C=C1.
What is the InChIKey of 4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is DXTGOKDQXMHTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c22-19-13-11-16(12-14-19)15-21-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H.
What are the key properties of 4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one?
4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 285.35 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 58611409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).