[1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-inden-4-yl]-trimethylsilane

C26H31BrSi — CID 67039944

IUPAC[1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-inden-4-yl]-trimethylsilane
SMILESCC1=Cc2c(Br)cccc2C1C(C)(C)C1C(C)=Cc2c1cccc2[Si](C)(C)C
InChIInChI=1S/C26H31BrSi/c1-16-14-20-18(10-8-12-22(20)27)24(16)26(3,4)25-17(2)15-21-19(25)11-9-13-23(21)28(5,6)7/h8-15,24-25H,1-7H3
InChIKeyQKFGHSPJXCHPBX-UHFFFAOYSA-N
MW451.52 g/mol
LogP7.72
Rot. Bonds3

About [1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-inden-4-yl]-trimethylsilane

[1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-inden-4-yl]-trimethylsilane (PubChem CID 67039944) has the molecular formula C26H31BrSi and a molecular weight of 451.52 g/mol. Its IUPAC name is [1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-inden-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-inden-4-yl]-trimethylsilane
PubChem CID67039944
Molecular FormulaC26H31BrSi
Molecular Weight451.52 g/mol
Exact Mass450.14
IUPAC Name[1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-inden-4-yl]-trimethylsilane
SMILESCC1=Cc2c(Br)cccc2C1C(C)(C)C1C(C)=Cc2c1cccc2[Si](C)(C)C
InChIInChI=1S/C26H31BrSi/c1-16-14-20-18(10-8-12-22(20)27)24(16)26(3,4)25-17(2)15-21-19(25)11-9-13-23(21)28(5,6)7/h8-15,24-25H,1-7H3
InChIKeyQKFGHSPJXCHPBX-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.52
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene
CID 139962826
4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene
CID 67039433
(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane
CID 58897750
tert-butyl-dimethoxy-(2-methyl-4-trimethylsilyl-1H-inden-1-yl)silane
CID 139803073
2-bromo-8-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline
CID 91046352
1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene
CID 22994948
[1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane
CID 87245680
4-bromo-1-[2-(4-bromo-2-methyl-1H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2-methyl-1H-cyclopenta[b]naphthalene
CID 67039976
2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 67039293
2-bromo-7-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4,6-dimethyl-5H-cyclopenta[f][1]benzothiole
CID 67040064
1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene
CID 67039723
9-[1-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2-methyl-1H-inden-4-yl]carbazole
CID 168786634

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-inden-4-yl]-trimethylsilane?
The IUPAC name of [1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-inden-4-yl]-trimethylsilane (CID 67039944) is [1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-inden-4-yl]-trimethylsilane.
What is the SMILES notation for [1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-inden-4-yl]-trimethylsilane?
The canonical SMILES for [1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-inden-4-yl]-trimethylsilane is CC1=Cc2c(Br)cccc2C1C(C)(C)C1C(C)=Cc2c1cccc2[Si](C)(C)C.
What is the InChIKey of [1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-inden-4-yl]-trimethylsilane?
The InChIKey is QKFGHSPJXCHPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31BrSi/c1-16-14-20-18(10-8-12-22(20)27)24(16)26(3,4)25-17(2)15-21-19(25)11-9-13-23(21)28(5,6)7/h8-15,24-25H,1-7H3.
What are the key properties of [1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-inden-4-yl]-trimethylsilane?
[1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-inden-4-yl]-trimethylsilane has a molecular weight of 451.52 g/mol, XLogP of 7.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-inden-4-yl]-trimethylsilane is sourced from PubChem (CID 67039944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).