(5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane

C24H34BrNSi — CID 90787098

IUPAC(5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane
SMILESCC1CC2C(Br)C3CCCNC3CC2C1[Si](C)(C)C1C=Cc2ccccc21
InChIInChI=1S/C24H34BrNSi/c1-15-13-19-20(14-21-18(23(19)25)9-6-12-26-21)24(15)27(2,3)22-11-10-16-7-4-5-8-17(16)22/h4-5,7-8,10-11,15,18-24,26H,6,9,12-14H2,1-3H3
InChIKeyGXXLEJDVPZALCN-UHFFFAOYSA-N
MW444.53 g/mol
LogP6.22
Rot. Bonds2

About (5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane

(5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane (PubChem CID 90787098) has the molecular formula C24H34BrNSi and a molecular weight of 444.53 g/mol. Its IUPAC name is (5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Name(5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane
PubChem CID90787098
Molecular FormulaC24H34BrNSi
Molecular Weight444.53 g/mol
Exact Mass443.16
IUPAC Name(5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane
SMILESCC1CC2C(Br)C3CCCNC3CC2C1[Si](C)(C)C1C=Cc2ccccc21
InChIInChI=1S/C24H34BrNSi/c1-15-13-19-20(14-21-18(23(19)25)9-6-12-26-21)24(15)27(2,3)22-11-10-16-7-4-5-8-17(16)22/h4-5,7-8,10-11,15,18-24,26H,6,9,12-14H2,1-3H3
InChIKeyGXXLEJDVPZALCN-UHFFFAOYSA-N
XLogP6.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane?
The IUPAC name of (5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane (CID 90787098) is (5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for (5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for (5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane is CC1CC2C(Br)C3CCCNC3CC2C1[Si](C)(C)C1C=Cc2ccccc21.
What is the InChIKey of (5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane?
The InChIKey is GXXLEJDVPZALCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34BrNSi/c1-15-13-19-20(14-21-18(23(19)25)9-6-12-26-21)24(15)27(2,3)22-11-10-16-7-4-5-8-17(16)22/h4-5,7-8,10-11,15,18-24,26H,6,9,12-14H2,1-3H3.
What are the key properties of (5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane?
(5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane has a molecular weight of 444.53 g/mol, XLogP of 6.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-methyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 90787098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).