6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one

C24H20O — CID 91601711

IUPAC6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one
SMILESO=C1c2cc(-c3ccccc3)ccc2CC12CCc1ccccc1C2
InChIInChI=1S/C24H20O/c25-23-22-14-19(17-6-2-1-3-7-17)10-11-21(22)16-24(23)13-12-18-8-4-5-9-20(18)15-24/h1-11,14H,12-13,15-16H2
InChIKeyLRGXNUWQKZBQSA-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.27
Rot. Bonds1

About 6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one

6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one (PubChem CID 91601711) has the molecular formula C24H20O and a molecular weight of 324.42 g/mol. Its IUPAC name is 6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one.

Molecular Properties

Compound Name6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one
PubChem CID91601711
Molecular FormulaC24H20O
Molecular Weight324.42 g/mol
Exact Mass324.15
IUPAC Name6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one
SMILESO=C1c2cc(-c3ccccc3)ccc2CC12CCc1ccccc1C2
InChIInChI=1S/C24H20O/c25-23-22-14-19(17-6-2-1-3-7-17)10-11-21(22)16-24(23)13-12-18-8-4-5-9-20(18)15-24/h1-11,14H,12-13,15-16H2
InChIKeyLRGXNUWQKZBQSA-UHFFFAOYSA-N
XLogP5.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one
CID 58197583
3-(3-oxospiro[1H-indene-2,1'-cyclohexane]-5-yl)benzonitrile
CID 66584778
6-(3-isocyanophenyl)spiro[3H-indene-2,4'-oxane]-1-one
CID 58198220
(3E)-5-phenyl-3-(6-phenyl-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 101427636
6'-bromo-8-fluorospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one;8-fluoro-6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one;(3-isocyanophenyl)boronic acid
CID 157114385
6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one
CID 91546187
spiro[3H-indene-2,4'-oxane]-1-one
CID 100741937
6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one
CID 123306825
5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]
CID 118592324
spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1H-naphthalene]
CID 56653224
5-(3,5-diphenylphenyl)-14-phenanthren-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 88556830
10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene
CID 102159942

Frequently Asked Questions

What is the IUPAC name of 6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one?
The IUPAC name of 6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one (CID 91601711) is 6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one.
What is the SMILES notation for 6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one?
The canonical SMILES for 6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one is O=C1c2cc(-c3ccccc3)ccc2CC12CCc1ccccc1C2.
What is the InChIKey of 6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one?
The InChIKey is LRGXNUWQKZBQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O/c25-23-22-14-19(17-6-2-1-3-7-17)10-11-21(22)16-24(23)13-12-18-8-4-5-9-20(18)15-24/h1-11,14H,12-13,15-16H2.
What are the key properties of 6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one?
6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one has a molecular weight of 324.42 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-phenylspiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one is sourced from PubChem (CID 91601711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).