1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene

C30H24 — CID 54123329

IUPAC1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene
SMILESC(=Cc1ccccc1)C(=C(C=Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24/c1-5-13-25(14-6-1)21-23-29(27-17-9-3-10-18-27)30(28-19-11-4-12-20-28)24-22-26-15-7-2-8-16-26/h1-24H
InChIKeyNPFWKQOFRRQJFW-UHFFFAOYSA-N
MW384.52 g/mol
LogP8.02
Rot. Bonds6

About 1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene

1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene (PubChem CID 54123329) has the molecular formula C30H24 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene.

Molecular Properties

Compound Name1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene
PubChem CID54123329
Molecular FormulaC30H24
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC Name1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene
SMILESC(=Cc1ccccc1)C(=C(C=Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24/c1-5-13-25(14-6-1)21-23-29(27-17-9-3-10-18-27)30(28-19-11-4-12-20-28)24-22-26-15-7-2-8-16-26/h1-24H
InChIKeyNPFWKQOFRRQJFW-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(1E)-3,4,4-triphenylbuta-1,3-dienyl]benzene
CID 12662107
5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid)
CID 173127720
diphenylmethanone;(E)-3-phenylprop-2-enoic acid
CID 70019468
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
5-(1,3-diphenylprop-2-enylidene)-2-methylhex-2-enedioic acid
CID 87734000
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
2-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]propanedinitrile
CID 911528
ethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate
CID 15134977
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone
CID 160723303

Frequently Asked Questions

What is the IUPAC name of 1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene?
The IUPAC name of 1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene (CID 54123329) is 1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene.
What is the SMILES notation for 1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene?
The canonical SMILES for 1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene is C(=Cc1ccccc1)C(=C(C=Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene?
The InChIKey is NPFWKQOFRRQJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24/c1-5-13-25(14-6-1)21-23-29(27-17-9-3-10-18-27)30(28-19-11-4-12-20-28)24-22-26-15-7-2-8-16-26/h1-24H.
What are the key properties of 1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene?
1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene has a molecular weight of 384.52 g/mol, XLogP of 8.02, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene is sourced from PubChem (CID 54123329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).