3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one

C25H18O — CID 132540245

IUPAC3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one
SMILESCC1=C(c2ccccc2)C2(C(=O)C=Cc3ccccc32)c2ccccc21
InChIInChI=1S/C25H18O/c1-17-20-12-6-8-14-22(20)25(24(17)19-10-3-2-4-11-19)21-13-7-5-9-18(21)15-16-23(25)26/h2-16H,1H3
InChIKeyALJLZZDZEXHPTM-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.51
Rot. Bonds1

About 3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one

3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one (PubChem CID 132540245) has the molecular formula C25H18O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one.

Molecular Properties

Compound Name3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one
PubChem CID132540245
Molecular FormulaC25H18O
Molecular Weight334.42 g/mol
Exact Mass334.14
IUPAC Name3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one
SMILESCC1=C(c2ccccc2)C2(C(=O)C=Cc3ccccc32)c2ccccc21
InChIInChI=1S/C25H18O/c1-17-20-12-6-8-14-22(20)25(24(17)19-10-3-2-4-11-19)21-13-7-5-9-18(21)15-16-23(25)26/h2-16H,1H3
InChIKeyALJLZZDZEXHPTM-UHFFFAOYSA-N
XLogP5.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-diphenyl-6-(trifluoromethyl)spiro[indene-1,1'-naphthalene]-2'-one
CID 175186019
1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione
CID 132558118
2-(4-methylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine
CID 134253394
4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline
CID 130260406
(1S)-1-fluoro-1-phenylnaphthalen-2-one
CID 155930456
2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-1,3,5-triazine
CID 134253240
2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]
CID 134253365
(1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione
CID 164682129
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260790
2-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260395
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid
CID 134096624
2'-(4-methylphenyl)-3'-phenylspiro[2H-isoindole-3,1'-indene]-1-one
CID 141452538

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one?
The IUPAC name of 3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one (CID 132540245) is 3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one.
What is the SMILES notation for 3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one?
The canonical SMILES for 3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one is CC1=C(c2ccccc2)C2(C(=O)C=Cc3ccccc32)c2ccccc21.
What is the InChIKey of 3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one?
The InChIKey is ALJLZZDZEXHPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O/c1-17-20-12-6-8-14-22(20)25(24(17)19-10-3-2-4-11-19)21-13-7-5-9-18(21)15-16-23(25)26/h2-16H,1H3.
What are the key properties of 3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one?
3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one has a molecular weight of 334.42 g/mol, XLogP of 5.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one is sourced from PubChem (CID 132540245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).