2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one

C31H19F3O — CID 175186019

IUPAC2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one
SMILESO=C1C=Cc2ccccc2C12C(c1ccccc1)=C(c1ccccc1)c1ccc(C(F)(F)F)cc12
InChIInChI=1S/C31H19F3O/c32-31(33,34)23-16-17-24-26(19-23)30(25-14-8-7-9-20(25)15-18-27(30)35)29(22-12-5-2-6-13-22)28(24)21-10-3-1-4-11-21/h1-19H
InChIKeyINFKUMMJKBMDEJ-UHFFFAOYSA-N
MW464.49 g/mol
LogP7.56
Rot. Bonds2

About 2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one

2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one (PubChem CID 175186019) has the molecular formula C31H19F3O and a molecular weight of 464.49 g/mol. Its IUPAC name is 2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one.

Molecular Properties

Compound Name2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one
PubChem CID175186019
Molecular FormulaC31H19F3O
Molecular Weight464.49 g/mol
Exact Mass464.14
IUPAC Name2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one
SMILESO=C1C=Cc2ccccc2C12C(c1ccccc1)=C(c1ccccc1)c1ccc(C(F)(F)F)cc12
InChIInChI=1S/C31H19F3O/c32-31(33,34)23-16-17-24-26(19-23)30(25-14-8-7-9-20(25)15-18-27(30)35)29(22-12-5-2-6-13-22)28(24)21-10-3-1-4-11-21/h1-19H
InChIKeyINFKUMMJKBMDEJ-UHFFFAOYSA-N
XLogP7.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one?
The IUPAC name of 2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one (CID 175186019) is 2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one.
What is the SMILES notation for 2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one?
The canonical SMILES for 2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one is O=C1C=Cc2ccccc2C12C(c1ccccc1)=C(c1ccccc1)c1ccc(C(F)(F)F)cc12.
What is the InChIKey of 2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one?
The InChIKey is INFKUMMJKBMDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19F3O/c32-31(33,34)23-16-17-24-26(19-23)30(25-14-8-7-9-20(25)15-18-27(30)35)29(22-12-5-2-6-13-22)28(24)21-10-3-1-4-11-21/h1-19H.
What are the key properties of 2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one?
2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one has a molecular weight of 464.49 g/mol, XLogP of 7.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one is sourced from PubChem (CID 175186019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).