1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone

C23H19NO — CID 102475202

IUPAC1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone
SMILESCC(=O)c1ccc(/N=C/C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H19NO/c1-18(25)19-12-14-22(15-13-19)24-17-16-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17H,1H3/b24-17+
InChIKeyFDXIPGPVKHQUKB-JJIBRWJFSA-N
MW325.41 g/mol
LogP5.72
Rot. Bonds5

About 1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone

1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone (PubChem CID 102475202) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone
PubChem CID102475202
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone
SMILESCC(=O)c1ccc(/N=C/C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H19NO/c1-18(25)19-12-14-22(15-13-19)24-17-16-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17H,1H3/b24-17+
InChIKeyFDXIPGPVKHQUKB-JJIBRWJFSA-N
XLogP5.72
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.72
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

1-[4-(cinnamylideneamino)phenyl]ethanone
CID 3705604
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
iron;1-phenylethanone
CID 70488357
lithium 1-phenylethanone
CID 22269591
acetic acid;1-phenylethanone
CID 159392478
potassium 1-phenylethanone
CID 19980201
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone
CID 10669604
1-phenylethanone;hydrate;hydrochloride
CID 21258111
CID 173404741
CID 173404741
ethane;1-phenylethanone;propan-2-one
CID 91456675
ethane;molecular hydrogen;1-phenylethanone
CID 143067772

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone?
The IUPAC name of 1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone (CID 102475202) is 1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone is CC(=O)c1ccc(/N=C/C=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone?
The InChIKey is FDXIPGPVKHQUKB-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H19NO/c1-18(25)19-12-14-22(15-13-19)24-17-16-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17H,1H3/b24-17+.
What are the key properties of 1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone?
1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone is sourced from PubChem (CID 102475202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).