1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one

C33H24O3 — CID 142713013

IUPAC1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1cccc(C(=O)C=Cc2ccccc2)c1C(=O)C=Cc1ccccc1
InChIInChI=1S/C33H24O3/c34-30(22-19-25-11-4-1-5-12-25)28-17-10-18-29(31(35)23-20-26-13-6-2-7-14-26)33(28)32(36)24-21-27-15-8-3-9-16-27/h1-24H
InChIKeyVJLMNJSDQICSFP-UHFFFAOYSA-N
MW468.55 g/mol
LogP7.37
Rot. Bonds9

About 1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one

1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one (PubChem CID 142713013) has the molecular formula C33H24O3 and a molecular weight of 468.55 g/mol. Its IUPAC name is 1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one
PubChem CID142713013
Molecular FormulaC33H24O3
Molecular Weight468.55 g/mol
Exact Mass468.17
IUPAC Name1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1cccc(C(=O)C=Cc2ccccc2)c1C(=O)C=Cc1ccccc1
InChIInChI=1S/C33H24O3/c34-30(22-19-25-11-4-1-5-12-25)28-17-10-18-29(31(35)23-20-26-13-6-2-7-14-26)33(28)32(36)24-21-27-15-8-3-9-16-27/h1-24H
InChIKeyVJLMNJSDQICSFP-UHFFFAOYSA-N
XLogP7.37
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one
CID 6221715
4-[(E)-3-phenylprop-2-enoyl]naphthalene-1,8-dicarboxylic acid
CID 11359948
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
methyl 2-[(E)-3-phenylprop-2-enoyl]benzoate
CID 10333131
3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 11043762
(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 155677993
4-(3-phenylprop-2-enoyl)naphthalene-1-carboxylic acid
CID 70207100
1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 175290559
(E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one
CID 67659954
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylprop-2-en-1-one
CID 162367173
disodium;4-[(E)-3-phenylprop-2-enoyl]naphthalene-1,8-dicarboxylate
CID 20685189

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one?
The IUPAC name of 1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one (CID 142713013) is 1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one is O=C(C=Cc1ccccc1)c1cccc(C(=O)C=Cc2ccccc2)c1C(=O)C=Cc1ccccc1.
What is the InChIKey of 1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one?
The InChIKey is VJLMNJSDQICSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24O3/c34-30(22-19-25-11-4-1-5-12-25)28-17-10-18-29(31(35)23-20-26-13-6-2-7-14-26)33(28)32(36)24-21-27-15-8-3-9-16-27/h1-24H.
What are the key properties of 1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one?
1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one has a molecular weight of 468.55 g/mol, XLogP of 7.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 142713013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).