(Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one

C30H26O — CID 164673773

IUPAC(Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one
SMILESO=C(c1ccccc1)C(C/C(=C/c1ccccc1)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H26O/c31-30(27-19-11-4-12-20-27)29(22-25-15-7-2-8-16-25)23-28(26-17-9-3-10-18-26)21-24-13-5-1-6-14-24/h1-21,29H,22-23H2/b28-21-
InChIKeyYFJXISBVPBZQMI-HFTWOUSFSA-N
MW402.54 g/mol
LogP7.36
Rot. Bonds8

About (Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one

(Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one (PubChem CID 164673773) has the molecular formula C30H26O and a molecular weight of 402.54 g/mol. Its IUPAC name is (Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one.

Molecular Properties

Compound Name(Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one
PubChem CID164673773
Molecular FormulaC30H26O
Molecular Weight402.54 g/mol
Exact Mass402.20
IUPAC Name(Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one
SMILESO=C(c1ccccc1)C(C/C(=C/c1ccccc1)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H26O/c31-30(27-19-11-4-12-20-27)29(22-25-15-7-2-8-16-25)23-28(26-17-9-3-10-18-26)21-24-13-5-1-6-14-24/h1-21,29H,22-23H2/b28-21-
InChIKeyYFJXISBVPBZQMI-HFTWOUSFSA-N
XLogP7.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-3-methoxy-1-phenylpropan-1-one
CID 177312202
2-benzyl-1-phenylpent-4-yn-1-one
CID 101071946
(2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one
CID 97356031
(2S)-2-methylsulfonyl-1,3-diphenylpropan-1-one
CID 135042830
2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride
CID 15945335
1,3,4-triphenylbut-1-en-2-ylbenzene
CID 71421152
2-benzylidene-3-methyl-4-phenylbutanoic acid
CID 175213600
2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one
CID 175703291
2-benzylbutanedioic acid;ethanol
CID 174894815
(Z)-4,5-diphenylpent-4-enal
CID 102069655
3-benzylhexane-2,5-dione
CID 58379257
(E)-3,4-diphenylbut-3-enethial
CID 87918444

Frequently Asked Questions

What is the IUPAC name of (Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one?
The IUPAC name of (Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one (CID 164673773) is (Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one.
What is the SMILES notation for (Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one?
The canonical SMILES for (Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one is O=C(c1ccccc1)C(C/C(=C/c1ccccc1)c1ccccc1)Cc1ccccc1.
What is the InChIKey of (Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one?
The InChIKey is YFJXISBVPBZQMI-HFTWOUSFSA-N. The full InChI is InChI=1S/C30H26O/c31-30(27-19-11-4-12-20-27)29(22-25-15-7-2-8-16-25)23-28(26-17-9-3-10-18-26)21-24-13-5-1-6-14-24/h1-21,29H,22-23H2/b28-21-.
What are the key properties of (Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one?
(Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one has a molecular weight of 402.54 g/mol, XLogP of 7.36, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one is sourced from PubChem (CID 164673773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).