6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one

C39H35NO2Si — CID 159841201

IUPAC6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc([Si](C)(C)C)ccc1N2c1ccc2c(c1)CCCC2=O
InChIInChI=1S/C39H35NO2Si/c1-25-16-20-34-32(22-25)39(30-11-5-7-14-37(30)42-38-15-8-6-12-31(38)39)33-24-28(43(2,3)4)18-21-35(33)40(34)27-17-19-29-26(23-27)10-9-13-36(29)41/h5-8,11-12,14-24H,9-10,13H2,1-4H3
InChIKeyFNUWITQVBMLRGM-UHFFFAOYSA-N
MW577.80 g/mol
LogP9.33
Rot. Bonds2

About 6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one

6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 159841201) has the molecular formula C39H35NO2Si and a molecular weight of 577.80 g/mol. Its IUPAC name is 6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID159841201
Molecular FormulaC39H35NO2Si
Molecular Weight577.80 g/mol
Exact Mass577.24
IUPAC Name6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc([Si](C)(C)C)ccc1N2c1ccc2c(c1)CCCC2=O
InChIInChI=1S/C39H35NO2Si/c1-25-16-20-34-32(22-25)39(30-11-5-7-14-37(30)42-38-15-8-6-12-31(38)39)33-24-28(43(2,3)4)18-21-35(33)40(34)27-17-19-29-26(23-27)10-9-13-36(29)41/h5-8,11-12,14-24H,9-10,13H2,1-4H3
InChIKeyFNUWITQVBMLRGM-UHFFFAOYSA-N
XLogP9.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.80
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)chromen-4-one
CID 160607697
7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one
CID 159197609
6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-1-benzofuran-3-one;2-methyl-7-spiro[acridine-9,9'-xanthene]-10-ylchromen-4-one;6-spiro[acridine-9,9'-xanthene]-10-yl-1-benzofuran-3-one
CID 158280613
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
6-(2,7-dimethylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenyl-3H-isoindol-1-one;6-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-2-phenyl-3H-isoindol-1-one;2-phenyl-6-spiro[acridine-9,9'-fluorene]-10-yl-3H-isoindol-1-one;2-phenyl-6-spiro[acridine-9,9'-xanthene]-10-yl-3H-isoindol-1-one;2-phenyl-6-spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]-5-yl-3H-isoindol-1-one
CID 161189686
13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine
CID 139374815
[4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane
CID 59470047
6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one
CID 158449680
14-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene]
CID 177278079
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965145
7-(2,7-dimethylspiro[acridine-9,9'-fluorene]-10-yl)-2,4-dimethylisoquinolin-1-one;2,4-dimethyl-7-spiro[acridine-9,9'-fluorene]-10-ylisoquinolin-1-one;2,4-dimethyl-7-spiro[acridine-9,9'-xanthene]-10-ylisoquinolin-1-one;2,4-dimethyl-7-spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]-5-ylisoquinolin-1-one;7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-2,4-dimethylisoquinolin-1-one
CID 159453482

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one (CID 159841201) is 6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one is Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc([Si](C)(C)C)ccc1N2c1ccc2c(c1)CCCC2=O.
What is the InChIKey of 6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is FNUWITQVBMLRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35NO2Si/c1-25-16-20-34-32(22-25)39(30-11-5-7-14-37(30)42-38-15-8-6-12-31(38)39)33-24-28(43(2,3)4)18-21-35(33)40(34)27-17-19-29-26(23-27)10-9-13-36(29)41/h5-8,11-12,14-24H,9-10,13H2,1-4H3.
What are the key properties of 6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one?
6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 577.80 g/mol, XLogP of 9.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 159841201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).