1,3-diphenylhept-6-en-3-ylbenzene

C25H26 — CID 160526868

IUPAC1,3-diphenylhept-6-en-3-ylbenzene
SMILESC=CCCC(CCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26/c1-2-3-20-25(23-15-9-5-10-16-23,24-17-11-6-12-18-24)21-19-22-13-7-4-8-14-22/h2,4-18H,1,3,19-21H2
InChIKeyDDYUQKXULZMEBX-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.57
Rot. Bonds8

About 1,3-diphenylhept-6-en-3-ylbenzene

1,3-diphenylhept-6-en-3-ylbenzene (PubChem CID 160526868) has the molecular formula C25H26 and a molecular weight of 326.48 g/mol. Its IUPAC name is 1,3-diphenylhept-6-en-3-ylbenzene.

Molecular Properties

Compound Name1,3-diphenylhept-6-en-3-ylbenzene
PubChem CID160526868
Molecular FormulaC25H26
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Name1,3-diphenylhept-6-en-3-ylbenzene
SMILESC=CCCC(CCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26/c1-2-3-20-25(23-15-9-5-10-16-23,24-17-11-6-12-18-24)21-19-22-13-7-4-8-14-22/h2,4-18H,1,3,19-21H2
InChIKeyDDYUQKXULZMEBX-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylhept-6-en-3-ylbenzene?
The IUPAC name of 1,3-diphenylhept-6-en-3-ylbenzene (CID 160526868) is 1,3-diphenylhept-6-en-3-ylbenzene.
What is the SMILES notation for 1,3-diphenylhept-6-en-3-ylbenzene?
The canonical SMILES for 1,3-diphenylhept-6-en-3-ylbenzene is C=CCCC(CCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenylhept-6-en-3-ylbenzene?
The InChIKey is DDYUQKXULZMEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26/c1-2-3-20-25(23-15-9-5-10-16-23,24-17-11-6-12-18-24)21-19-22-13-7-4-8-14-22/h2,4-18H,1,3,19-21H2.
What are the key properties of 1,3-diphenylhept-6-en-3-ylbenzene?
1,3-diphenylhept-6-en-3-ylbenzene has a molecular weight of 326.48 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylhept-6-en-3-ylbenzene is sourced from PubChem (CID 160526868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).