(3-phenylcyclohexa-1,5-dien-1-yl)benzene

C18H16 — CID 23170334

IUPAC(3-phenylcyclohexa-1,5-dien-1-yl)benzene
SMILESC1=CC(c2ccccc2)=CC(c2ccccc2)C1
InChIInChI=1S/C18H16/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-12,14,18H,13H2
InChIKeyQZUGTKGGYAVJQP-UHFFFAOYSA-N
MW232.33 g/mol
LogP4.81
Rot. Bonds2

About (3-phenylcyclohexa-1,5-dien-1-yl)benzene

(3-phenylcyclohexa-1,5-dien-1-yl)benzene (PubChem CID 23170334) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is (3-phenylcyclohexa-1,5-dien-1-yl)benzene.

Molecular Properties

Compound Name(3-phenylcyclohexa-1,5-dien-1-yl)benzene
PubChem CID23170334
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name(3-phenylcyclohexa-1,5-dien-1-yl)benzene
SMILESC1=CC(c2ccccc2)=CC(c2ccccc2)C1
InChIInChI=1S/C18H16/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-12,14,18H,13H2
InChIKeyQZUGTKGGYAVJQP-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3-phenylcyclohexa-1,5-dien-1-yl)benzene?
The IUPAC name of (3-phenylcyclohexa-1,5-dien-1-yl)benzene (CID 23170334) is (3-phenylcyclohexa-1,5-dien-1-yl)benzene.
What is the SMILES notation for (3-phenylcyclohexa-1,5-dien-1-yl)benzene?
The canonical SMILES for (3-phenylcyclohexa-1,5-dien-1-yl)benzene is C1=CC(c2ccccc2)=CC(c2ccccc2)C1.
What is the InChIKey of (3-phenylcyclohexa-1,5-dien-1-yl)benzene?
The InChIKey is QZUGTKGGYAVJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-12,14,18H,13H2.
What are the key properties of (3-phenylcyclohexa-1,5-dien-1-yl)benzene?
(3-phenylcyclohexa-1,5-dien-1-yl)benzene has a molecular weight of 232.33 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylcyclohexa-1,5-dien-1-yl)benzene is sourced from PubChem (CID 23170334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).