1-phenyl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one

C27H21NO — CID 4311450

IUPAC1-phenyl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C27H21NO/c29-27(23-10-4-1-5-11-23)21-18-22-16-19-26(20-17-22)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H
InChIKeyJBHFXWSEIGJYKW-UHFFFAOYSA-N
MW375.47 g/mol
LogP7.05
Rot. Bonds6

About 1-phenyl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one

1-phenyl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one (PubChem CID 4311450) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-phenyl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-phenyl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
PubChem CID4311450
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name1-phenyl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C27H21NO/c29-27(23-10-4-1-5-11-23)21-18-22-16-19-26(20-17-22)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H
InChIKeyJBHFXWSEIGJYKW-UHFFFAOYSA-N
XLogP7.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one?
The IUPAC name of 1-phenyl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one (CID 4311450) is 1-phenyl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-phenyl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one?
The canonical SMILES for 1-phenyl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one is O=C(C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one?
The InChIKey is JBHFXWSEIGJYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO/c29-27(23-10-4-1-5-11-23)21-18-22-16-19-26(20-17-22)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H.
What are the key properties of 1-phenyl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one?
1-phenyl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one has a molecular weight of 375.47 g/mol, XLogP of 7.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one is sourced from PubChem (CID 4311450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).