1,3,4-triphenylbut-1-en-2-ylbenzene

C28H24 — CID 71421152

IUPAC1,3,4-triphenylbut-1-en-2-ylbenzene
SMILESC(=C(c1ccccc1)C(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24/h1-21,28H,22H2
InChIKeyMFAZZFOVSGGGMP-UHFFFAOYSA-N
MW360.50 g/mol
LogP7.25
Rot. Bonds6

About 1,3,4-triphenylbut-1-en-2-ylbenzene

1,3,4-triphenylbut-1-en-2-ylbenzene (PubChem CID 71421152) has the molecular formula C28H24 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1,3,4-triphenylbut-1-en-2-ylbenzene.

Molecular Properties

Compound Name1,3,4-triphenylbut-1-en-2-ylbenzene
PubChem CID71421152
Molecular FormulaC28H24
Molecular Weight360.50 g/mol
Exact Mass360.19
IUPAC Name1,3,4-triphenylbut-1-en-2-ylbenzene
SMILESC(=C(c1ccccc1)C(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24/h1-21,28H,22H2
InChIKeyMFAZZFOVSGGGMP-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3,3-dichloro-1-phenylprop-1-en-2-yl)benzene
CID 66605972
1,2,3-triphenylprop-2-en-1-amine
CID 173348999
(2S)-2,3-diphenylpropanoic acid
CID 737125
(E,2S)-3,4-diphenylbut-3-en-2-ol
CID 177489258
(2S)-2,3-diphenylpropanoate
CID 6993748
(Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one
CID 164673773
(E)-2-(1,2-diphenylethyl)but-2-enedioic acid
CID 67831454
2-benzylidene-3-methyl-4-phenylbutanoic acid
CID 175213600
(1R)-1,2-diphenylethanol
CID 1379022
diethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate
CID 101392631
N-[(1S)-1,2-diphenylethyl]hydroxylamine
CID 163358827
N-(1,2-diphenylethyl)hydroxylamine
CID 82685199

Frequently Asked Questions

What is the IUPAC name of 1,3,4-triphenylbut-1-en-2-ylbenzene?
The IUPAC name of 1,3,4-triphenylbut-1-en-2-ylbenzene (CID 71421152) is 1,3,4-triphenylbut-1-en-2-ylbenzene.
What is the SMILES notation for 1,3,4-triphenylbut-1-en-2-ylbenzene?
The canonical SMILES for 1,3,4-triphenylbut-1-en-2-ylbenzene is C(=C(c1ccccc1)C(Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3,4-triphenylbut-1-en-2-ylbenzene?
The InChIKey is MFAZZFOVSGGGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24/h1-21,28H,22H2.
What are the key properties of 1,3,4-triphenylbut-1-en-2-ylbenzene?
1,3,4-triphenylbut-1-en-2-ylbenzene has a molecular weight of 360.50 g/mol, XLogP of 7.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-triphenylbut-1-en-2-ylbenzene is sourced from PubChem (CID 71421152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).