2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane

C28H26 — CID 71425206

IUPAC2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane
SMILESC(=C(c1ccccc1)c1ccccc1)=C1C(c2ccccc2)C12CCCCC2
InChIInChI=1S/C28H26/c1-5-13-22(14-6-1)25(23-15-7-2-8-16-23)21-26-27(24-17-9-3-10-18-24)28(26)19-11-4-12-20-28/h1-3,5-10,13-18,27H,4,11-12,19-20H2
InChIKeyXGCAEFGJEIQJHZ-UHFFFAOYSA-N
MW362.52 g/mol
LogP7.39
Rot. Bonds3

About 2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane

2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane (PubChem CID 71425206) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane.

Molecular Properties

Compound Name2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane
PubChem CID71425206
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane
SMILESC(=C(c1ccccc1)c1ccccc1)=C1C(c2ccccc2)C12CCCCC2
InChIInChI=1S/C28H26/c1-5-13-22(14-6-1)25(23-15-7-2-8-16-23)21-26-27(24-17-9-3-10-18-24)28(26)19-11-4-12-20-28/h1-3,5-10,13-18,27H,4,11-12,19-20H2
InChIKeyXGCAEFGJEIQJHZ-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol
CID 23267885
(1S,5R)-6-(2,2-diphenylethenylidene)bicyclo[3.1.0]hexane
CID 101186507
2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 4267359
1-hydroxy-2-phenylcyclohexane-1-sulfonic acid
CID 103574511
(1S)-2-(2,2-diphenylethenylidene)cyclohexan-1-ol
CID 134977363
hydrazine;(1-hydroxycyclohexyl)-phenylmethanone
CID 161340998
1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol
CID 6372833
(16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione
CID 880512
(1-benzoylcyclooctyl)-phenylmethanone
CID 175521310
(1R)-1-phenyl-2-azaspiro[3.4]octan-3-one
CID 125180932
1,1-diphenylcyclotetradecane
CID 175822005
copper;1-phenylcyclohexan-1-ol
CID 174727157

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane?
The IUPAC name of 2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane (CID 71425206) is 2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane.
What is the SMILES notation for 2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane?
The canonical SMILES for 2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane is C(=C(c1ccccc1)c1ccccc1)=C1C(c2ccccc2)C12CCCCC2.
What is the InChIKey of 2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane?
The InChIKey is XGCAEFGJEIQJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-5-13-22(14-6-1)25(23-15-7-2-8-16-23)21-26-27(24-17-9-3-10-18-24)28(26)19-11-4-12-20-28/h1-3,5-10,13-18,27H,4,11-12,19-20H2.
What are the key properties of 2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane?
2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane has a molecular weight of 362.52 g/mol, XLogP of 7.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane is sourced from PubChem (CID 71425206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).