[(6aR,10aR)-5-bromo-7,9-diethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-4-yl]-tert-butyl-dimethylsilane

C24H35BrN2Si — CID 70481518

IUPAC[(6aR,10aR)-5-bromo-7,9-diethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-4-yl]-tert-butyl-dimethylsilane
SMILESCCC1=C[C@@H]2c3cccc4c3c(c(Br)n4[Si](C)(C)C(C)(C)C)C[C@H]2N(CC)C1
InChIInChI=1S/C24H35BrN2Si/c1-8-16-13-18-17-11-10-12-20-22(17)19(14-21(18)26(9-2)15-16)23(25)27(20)28(6,7)24(3,4)5/h10-13,18,21H,8-9,14-15H2,1-7H3/t18-,21-/m1/s1
InChIKeyRYCDYKHEIMAACX-WIYYLYMNSA-N
MW459.55 g/mol
LogP6.94
Rot. Bonds3

About [(6aR,10aR)-5-bromo-7,9-diethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-4-yl]-tert-butyl-dimethylsilane

[(6aR,10aR)-5-bromo-7,9-diethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-4-yl]-tert-butyl-dimethylsilane (PubChem CID 70481518) has the molecular formula C24H35BrN2Si and a molecular weight of 459.55 g/mol. Its IUPAC name is [(6aR,10aR)-5-bromo-7,9-diethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-4-yl]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(6aR,10aR)-5-bromo-7,9-diethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-4-yl]-tert-butyl-dimethylsilane
PubChem CID70481518
Molecular FormulaC24H35BrN2Si
Molecular Weight459.55 g/mol
Exact Mass458.18
IUPAC Name[(6aR,10aR)-5-bromo-7,9-diethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-4-yl]-tert-butyl-dimethylsilane
SMILESCCC1=C[C@@H]2c3cccc4c3c(c(Br)n4[Si](C)(C)C(C)(C)C)C[C@H]2N(CC)C1
InChIInChI=1S/C24H35BrN2Si/c1-8-16-13-18-17-11-10-12-20-22(17)19(14-21(18)26(9-2)15-16)23(25)27(20)28(6,7)24(3,4)5/h10-13,18,21H,8-9,14-15H2,1-7H3/t18-,21-/m1/s1
InChIKeyRYCDYKHEIMAACX-WIYYLYMNSA-N
XLogP6.94
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(6aR,10aR)-5-bromo-7,9-diethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-4-yl]-tert-butyl-dimethylsilane?
The IUPAC name of [(6aR,10aR)-5-bromo-7,9-diethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-4-yl]-tert-butyl-dimethylsilane (CID 70481518) is [(6aR,10aR)-5-bromo-7,9-diethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-4-yl]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(6aR,10aR)-5-bromo-7,9-diethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-4-yl]-tert-butyl-dimethylsilane?
The canonical SMILES for [(6aR,10aR)-5-bromo-7,9-diethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-4-yl]-tert-butyl-dimethylsilane is CCC1=C[C@@H]2c3cccc4c3c(c(Br)n4[Si](C)(C)C(C)(C)C)C[C@H]2N(CC)C1.
What is the InChIKey of [(6aR,10aR)-5-bromo-7,9-diethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-4-yl]-tert-butyl-dimethylsilane?
The InChIKey is RYCDYKHEIMAACX-WIYYLYMNSA-N. The full InChI is InChI=1S/C24H35BrN2Si/c1-8-16-13-18-17-11-10-12-20-22(17)19(14-21(18)26(9-2)15-16)23(25)27(20)28(6,7)24(3,4)5/h10-13,18,21H,8-9,14-15H2,1-7H3/t18-,21-/m1/s1.
What are the key properties of [(6aR,10aR)-5-bromo-7,9-diethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-4-yl]-tert-butyl-dimethylsilane?
[(6aR,10aR)-5-bromo-7,9-diethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-4-yl]-tert-butyl-dimethylsilane has a molecular weight of 459.55 g/mol, XLogP of 6.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,10aR)-5-bromo-7,9-diethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-4-yl]-tert-butyl-dimethylsilane is sourced from PubChem (CID 70481518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).