(Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one

C27H21NO — CID 51356633

IUPAC(Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one
SMILESO=C(/C=C(\Nc1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H21NO/c29-27(24-18-16-22(17-19-24)21-10-4-1-5-11-21)20-26(23-12-6-2-7-13-23)28-25-14-8-3-9-15-25/h1-20,28H/b26-20-
InChIKeyFPICMUJRTXQMQT-QOMWVZHYSA-N
MW375.47 g/mol
LogP6.69
Rot. Bonds6

About (Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one

(Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one (PubChem CID 51356633) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is (Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one
PubChem CID51356633
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name(Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one
SMILESO=C(/C=C(\Nc1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H21NO/c29-27(24-18-16-22(17-19-24)21-10-4-1-5-11-21)20-26(23-12-6-2-7-13-23)28-25-14-8-3-9-15-25/h1-20,28H/b26-20-
InChIKeyFPICMUJRTXQMQT-QOMWVZHYSA-N
XLogP6.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Heptyl-4-hydroxyquinoline
CID 164974
Q182 4-Anilino-1,2-naphthoquinone
CID 344131
2-Phenylamino-1,4-naphthoquinone
CID 81124
Anthrimide
CID 6700
2-Phenyl-4-oxohydroquinoline
CID 161091
2-Undecyl-4(1H)-quinolone
CID 10063343
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
2-(2-Nonenyl)-3-methylquinolin-4(1H)-one
CID 10401590
2-N-Nonyl-4-Quinolone
CID 9856730
4'-Benzoylbenzanilide
CID 88168
4-(4-Toluidino)-1,2-naphthalenedione
CID 272567
2-Benzoylaminobiphenyl
CID 345522

Frequently Asked Questions

What is the IUPAC name of (Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one (CID 51356633) is (Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one is O=C(/C=C(\Nc1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one?
The InChIKey is FPICMUJRTXQMQT-QOMWVZHYSA-N. The full InChI is InChI=1S/C27H21NO/c29-27(24-18-16-22(17-19-24)21-10-4-1-5-11-21)20-26(23-12-6-2-7-13-23)28-25-14-8-3-9-15-25/h1-20,28H/b26-20-.
What are the key properties of (Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one?
(Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one has a molecular weight of 375.47 g/mol, XLogP of 6.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 51356633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).