1,1,2-triphenylpenta-1,4-dien-3-ylbenzene

C29H24 — CID 173400306

IUPAC1,1,2-triphenylpenta-1,4-dien-3-ylbenzene
SMILESC=CC(C(=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24/c1-2-27(23-15-7-3-8-16-23)29(26-21-13-6-14-22-26)28(24-17-9-4-10-18-24)25-19-11-5-12-20-25/h2-22,27H,1H2
InChIKeySMURUXFQLFSVFS-UHFFFAOYSA-N
MW372.51 g/mol
LogP7.62
Rot. Bonds6

About 1,1,2-triphenylpenta-1,4-dien-3-ylbenzene

1,1,2-triphenylpenta-1,4-dien-3-ylbenzene (PubChem CID 173400306) has the molecular formula C29H24 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1,1,2-triphenylpenta-1,4-dien-3-ylbenzene.

Molecular Properties

Compound Name1,1,2-triphenylpenta-1,4-dien-3-ylbenzene
PubChem CID173400306
Molecular FormulaC29H24
Molecular Weight372.51 g/mol
Exact Mass372.19
IUPAC Name1,1,2-triphenylpenta-1,4-dien-3-ylbenzene
SMILESC=CC(C(=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24/c1-2-27(23-15-7-3-8-16-23)29(26-21-13-6-14-22-26)28(24-17-9-4-10-18-24)25-19-11-5-12-20-25/h2-22,27H,1H2
InChIKeySMURUXFQLFSVFS-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-3-phenylpent-4-enoic acid
CID 10352456
2-ethenyl-1,3-diphenylpropane-1,3-diol
CID 11821143
1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium
CID 69405902
ethane;methyl 2-phenylbut-3-enoate
CID 177056138
benzene;1-phenylprop-2-en-1-ol
CID 174884403
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
penta-1,4-dien-3-ylbenzene
CID 15879286
styrene;1,2,2-triphenylethenylbenzene
CID 161183519
[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene
CID 141305061
1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene
CID 87154627
5-oxo-4,5-diphenylpent-2-enoic acid
CID 91191073

Frequently Asked Questions

What is the IUPAC name of 1,1,2-triphenylpenta-1,4-dien-3-ylbenzene?
The IUPAC name of 1,1,2-triphenylpenta-1,4-dien-3-ylbenzene (CID 173400306) is 1,1,2-triphenylpenta-1,4-dien-3-ylbenzene.
What is the SMILES notation for 1,1,2-triphenylpenta-1,4-dien-3-ylbenzene?
The canonical SMILES for 1,1,2-triphenylpenta-1,4-dien-3-ylbenzene is C=CC(C(=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,2-triphenylpenta-1,4-dien-3-ylbenzene?
The InChIKey is SMURUXFQLFSVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24/c1-2-27(23-15-7-3-8-16-23)29(26-21-13-6-14-22-26)28(24-17-9-4-10-18-24)25-19-11-5-12-20-25/h2-22,27H,1H2.
What are the key properties of 1,1,2-triphenylpenta-1,4-dien-3-ylbenzene?
1,1,2-triphenylpenta-1,4-dien-3-ylbenzene has a molecular weight of 372.51 g/mol, XLogP of 7.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triphenylpenta-1,4-dien-3-ylbenzene is sourced from PubChem (CID 173400306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).