1,2-diphenylcycloocta-1,3-diene

C20H20 — CID 54091831

IUPAC1,2-diphenylcycloocta-1,3-diene
SMILESC1=CC(c2ccccc2)=C(c2ccccc2)CCCC1
InChIInChI=1S/C20H20/c1-2-10-16-20(18-13-7-4-8-14-18)19(15-9-1)17-11-5-3-6-12-17/h3-9,11-15H,1-2,10,16H2
InChIKeyMUJXNYDXSKZZNV-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.73
Rot. Bonds2

About 1,2-diphenylcycloocta-1,3-diene

1,2-diphenylcycloocta-1,3-diene (PubChem CID 54091831) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1,2-diphenylcycloocta-1,3-diene.

Molecular Properties

Compound Name1,2-diphenylcycloocta-1,3-diene
PubChem CID54091831
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name1,2-diphenylcycloocta-1,3-diene
SMILESC1=CC(c2ccccc2)=C(c2ccccc2)CCCC1
InChIInChI=1S/C20H20/c1-2-10-16-20(18-13-7-4-8-14-18)19(15-9-1)17-11-5-3-6-12-17/h3-9,11-15H,1-2,10,16H2
InChIKeyMUJXNYDXSKZZNV-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Biphenyl
CID 7095
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
Cumene
CID 7406
Butylbenzene
CID 7705
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
M-Terphenyl
CID 7076
1,4-Diethylbenzene
CID 7734
1,3-Diethylbenzene
CID 8864
Isobutylbenzene
CID 10870

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylcycloocta-1,3-diene?
The IUPAC name of 1,2-diphenylcycloocta-1,3-diene (CID 54091831) is 1,2-diphenylcycloocta-1,3-diene.
What is the SMILES notation for 1,2-diphenylcycloocta-1,3-diene?
The canonical SMILES for 1,2-diphenylcycloocta-1,3-diene is C1=CC(c2ccccc2)=C(c2ccccc2)CCCC1.
What is the InChIKey of 1,2-diphenylcycloocta-1,3-diene?
The InChIKey is MUJXNYDXSKZZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-2-10-16-20(18-13-7-4-8-14-18)19(15-9-1)17-11-5-3-6-12-17/h3-9,11-15H,1-2,10,16H2.
What are the key properties of 1,2-diphenylcycloocta-1,3-diene?
1,2-diphenylcycloocta-1,3-diene has a molecular weight of 260.38 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylcycloocta-1,3-diene is sourced from PubChem (CID 54091831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).