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

C26H37Br2NSi — CID 90712693

IUPAC(2-bromo-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane
SMILESCC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)CC2C(C)C3CCC(Br)NC3CC21
InChIInChI=1S/C26H37Br2NSi/c1-14-11-19-16(3)17-9-10-24(28)29-23(17)13-21(19)26(14)30(4,5)25-15(2)12-20-18(25)7-6-8-22(20)27/h6-8,12,14,16-17,19,21,23-26,29H,9-11,13H2,1-5H3
InChIKeyWGIGNHJYVHZULJ-UHFFFAOYSA-N
MW551.48 g/mol
LogP7.97
Rot. Bonds2

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

(2-bromo-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane (PubChem CID 90712693) has the molecular formula C26H37Br2NSi and a molecular weight of 551.48 g/mol. Its IUPAC name is (2-bromo-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Name(2-bromo-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane
PubChem CID90712693
Molecular FormulaC26H37Br2NSi
Molecular Weight551.48 g/mol
Exact Mass549.11
IUPAC Name(2-bromo-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane
SMILESCC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)CC2C(C)C3CCC(Br)NC3CC21
InChIInChI=1S/C26H37Br2NSi/c1-14-11-19-16(3)17-9-10-24(28)29-23(17)13-21(19)26(14)30(4,5)25-15(2)12-20-18(25)7-6-8-22(20)27/h6-8,12,14,16-17,19,21,23-26,29H,9-11,13H2,1-5H3
InChIKeyWGIGNHJYVHZULJ-UHFFFAOYSA-N
XLogP7.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.48
LogP ≤ 57.97
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of (2-bromo-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane (CID 90712693) is (2-bromo-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for (2-bromo-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for (2-bromo-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane is CC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)CC2C(C)C3CCC(Br)NC3CC21.
What is the InChIKey of (2-bromo-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane?
The InChIKey is WGIGNHJYVHZULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37Br2NSi/c1-14-11-19-16(3)17-9-10-24(28)29-23(17)13-21(19)26(14)30(4,5)25-15(2)12-20-18(25)7-6-8-22(20)27/h6-8,12,14,16-17,19,21,23-26,29H,9-11,13H2,1-5H3.
What are the key properties of (2-bromo-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane?
(2-bromo-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane has a molecular weight of 551.48 g/mol, XLogP of 7.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 90712693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).