(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one

C33H24O3 — CID 639832

IUPAC(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1cc(C(=O)/C=C/c2ccccc2)cc(C(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C33H24O3/c34-31(19-16-25-10-4-1-5-11-25)28-22-29(32(35)20-17-26-12-6-2-7-13-26)24-30(23-28)33(36)21-18-27-14-8-3-9-15-27/h1-24H/b19-16+,20-17+,21-18+
InChIKeyGPHKLSVPCQWNEJ-VNQRMFGESA-N
MW468.55 g/mol
LogP7.37
Rot. Bonds9

About (E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one

(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one (PubChem CID 639832) has the molecular formula C33H24O3 and a molecular weight of 468.55 g/mol. Its IUPAC name is (E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
PubChem CID639832
Molecular FormulaC33H24O3
Molecular Weight468.55 g/mol
Exact Mass468.17
IUPAC Name(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1cc(C(=O)/C=C/c2ccccc2)cc(C(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C33H24O3/c34-31(19-16-25-10-4-1-5-11-25)28-22-29(32(35)20-17-26-12-6-2-7-13-26)24-30(23-28)33(36)21-18-27-14-8-3-9-15-27/h1-24H/b19-16+,20-17+,21-18+
InChIKeyGPHKLSVPCQWNEJ-VNQRMFGESA-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-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
CID 5355548
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride
CID 71348543
1,3-diphenylprop-2-en-1-one;1H-pyrrole
CID 70390442
(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
CID 163750701
3-[3-(3-oxo-3-phenylprop-1-enyl)phenyl]prop-2-enoic acid
CID 75076829

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one (CID 639832) is (E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1cc(C(=O)/C=C/c2ccccc2)cc(C(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one?
The InChIKey is GPHKLSVPCQWNEJ-VNQRMFGESA-N. The full InChI is InChI=1S/C33H24O3/c34-31(19-16-25-10-4-1-5-11-25)28-22-29(32(35)20-17-26-12-6-2-7-13-26)24-30(23-28)33(36)21-18-27-14-8-3-9-15-27/h1-24H/b19-16+,20-17+,21-18+.
What are the key properties of (E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one?
(E)-1-[3,5-bis[(E)-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 (E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 639832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).