[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene

C30H24 — CID 15791647

IUPAC[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
SMILESC(/C=C/C=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H/b14-13+
InChIKeyMVQDYEILXXVFQU-BUHFOSPRSA-N
MW384.52 g/mol
LogP7.81
Rot. Bonds6

About [(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene

[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene (PubChem CID 15791647) has the molecular formula C30H24 and a molecular weight of 384.52 g/mol. Its IUPAC name is [(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene.

Molecular Properties

Compound Name[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
PubChem CID15791647
Molecular FormulaC30H24
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC Name[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
SMILESC(/C=C/C=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H/b14-13+
InChIKeyMVQDYEILXXVFQU-BUHFOSPRSA-N
XLogP7.81
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 ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene?
The IUPAC name of [(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene (CID 15791647) is [(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene.
What is the SMILES notation for [(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene?
The canonical SMILES for [(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene is C(/C=C/C=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene?
The InChIKey is MVQDYEILXXVFQU-BUHFOSPRSA-N. The full InChI is InChI=1S/C30H24/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H/b14-13+.
What are the key properties of [(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene?
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene has a molecular weight of 384.52 g/mol, XLogP of 7.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene is sourced from PubChem (CID 15791647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).