7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one

C38H33NO2Si — CID 159197609

IUPAC7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc([Si](C)(C)C)ccc1N2c1ccc2c(c1)C(=O)OCC2
InChIInChI=1S/C38H33NO2Si/c1-24-13-17-35-33(21-24)38(31-11-7-5-9-28(31)29-10-6-8-12-32(29)38)34-23-27(42(2,3)4)16-18-36(34)39(35)26-15-14-25-19-20-41-37(40)30(25)22-26/h5-18,21-23H,19-20H2,1-4H3
InChIKeyQNUSMAKSFNBQJW-UHFFFAOYSA-N
MW563.77 g/mol
LogP8.40
Rot. Bonds2

About 7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one

7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one (PubChem CID 159197609) has the molecular formula C38H33NO2Si and a molecular weight of 563.77 g/mol. Its IUPAC name is 7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one
PubChem CID159197609
Molecular FormulaC38H33NO2Si
Molecular Weight563.77 g/mol
Exact Mass563.23
IUPAC Name7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc([Si](C)(C)C)ccc1N2c1ccc2c(c1)C(=O)OCC2
InChIInChI=1S/C38H33NO2Si/c1-24-13-17-35-33(21-24)38(31-11-7-5-9-28(31)29-10-6-8-12-32(29)38)34-23-27(42(2,3)4)16-18-36(34)39(35)26-15-14-25-19-20-41-37(40)30(25)22-26/h5-18,21-23H,19-20H2,1-4H3
InChIKeyQNUSMAKSFNBQJW-UHFFFAOYSA-N
XLogP8.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.77
LogP ≤ 58.40
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

6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 159841201
2-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)chromen-4-one
CID 160607697
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
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
[4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane
CID 59470047
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
4,18-dimethyl-8,14-bis(9,9'-spirobi[fluorene]-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 164715359
CID 58607554
CID 58607554
9-methylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]
CID 145137943
10-[4-(2,7-dimethylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-5,5-diphenylbenzo[b][1,4]benzothiaphosphinine 10-oxide
CID 139305201
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
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

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one?
The IUPAC name of 7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one (CID 159197609) is 7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one.
What is the SMILES notation for 7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one?
The canonical SMILES for 7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one is Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc([Si](C)(C)C)ccc1N2c1ccc2c(c1)C(=O)OCC2.
What is the InChIKey of 7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one?
The InChIKey is QNUSMAKSFNBQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33NO2Si/c1-24-13-17-35-33(21-24)38(31-11-7-5-9-28(31)29-10-6-8-12-32(29)38)34-23-27(42(2,3)4)16-18-36(34)39(35)26-15-14-25-19-20-41-37(40)30(25)22-26/h5-18,21-23H,19-20H2,1-4H3.
What are the key properties of 7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one?
7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one has a molecular weight of 563.77 g/mol, XLogP of 8.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 159197609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).