1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene

C18H16 — CID 123265998

IUPAC1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
SMILESC1=CCCC(c2ccc(-c3ccccc3)cc2)=C1
InChIInChI=1S/C18H16/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-5,7-9,11-14H,6,10H2
InChIKeyZAIMMGLIJLWWBJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP5.09
Rot. Bonds2

About 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene

1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene (PubChem CID 123265998) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
PubChem CID123265998
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
SMILESC1=CCCC(c2ccc(-c3ccccc3)cc2)=C1
InChIInChI=1S/C18H16/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-5,7-9,11-14H,6,10H2
InChIKeyZAIMMGLIJLWWBJ-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.33
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene (CID 123265998) is 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene is C1=CCCC(c2ccc(-c3ccccc3)cc2)=C1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene?
The InChIKey is ZAIMMGLIJLWWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-5,7-9,11-14H,6,10H2.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene?
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene has a molecular weight of 232.33 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene is sourced from PubChem (CID 123265998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).