(4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-(3-thiophen-2-ylcyclopenta-1,3-dien-1-yl)silane

C21H21BrSSi — CID 67039494

IUPAC(4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-(3-thiophen-2-ylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=Cc2c(Br)cccc2C1[Si](C)(C)C1=CC(c2cccs2)=CC1
InChIInChI=1S/C21H21BrSSi/c1-14-12-18-17(6-4-7-19(18)22)21(14)24(2,3)16-10-9-15(13-16)20-8-5-11-23-20/h4-9,11-13,21H,10H2,1-3H3
InChIKeyRBDBBFYNZPZADG-UHFFFAOYSA-N
MW413.46 g/mol
LogP7.21
Rot. Bonds3

About (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-(3-thiophen-2-ylcyclopenta-1,3-dien-1-yl)silane

(4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-(3-thiophen-2-ylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 67039494) has the molecular formula C21H21BrSSi and a molecular weight of 413.46 g/mol. Its IUPAC name is (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-(3-thiophen-2-ylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Name(4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-(3-thiophen-2-ylcyclopenta-1,3-dien-1-yl)silane
PubChem CID67039494
Molecular FormulaC21H21BrSSi
Molecular Weight413.46 g/mol
Exact Mass412.03
IUPAC Name(4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-(3-thiophen-2-ylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=Cc2c(Br)cccc2C1[Si](C)(C)C1=CC(c2cccs2)=CC1
InChIInChI=1S/C21H21BrSSi/c1-14-12-18-17(6-4-7-19(18)22)21(14)24(2,3)16-10-9-15(13-16)20-8-5-11-23-20/h4-9,11-13,21H,10H2,1-3H3
InChIKeyRBDBBFYNZPZADG-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-(3-thiophen-2-ylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-(3-thiophen-2-ylcyclopenta-1,3-dien-1-yl)silane (CID 67039494) is (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-(3-thiophen-2-ylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-(3-thiophen-2-ylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-(3-thiophen-2-ylcyclopenta-1,3-dien-1-yl)silane is CC1=Cc2c(Br)cccc2C1[Si](C)(C)C1=CC(c2cccs2)=CC1.
What is the InChIKey of (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-(3-thiophen-2-ylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is RBDBBFYNZPZADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrSSi/c1-14-12-18-17(6-4-7-19(18)22)21(14)24(2,3)16-10-9-15(13-16)20-8-5-11-23-20/h4-9,11-13,21H,10H2,1-3H3.
What are the key properties of (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-(3-thiophen-2-ylcyclopenta-1,3-dien-1-yl)silane?
(4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-(3-thiophen-2-ylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 413.46 g/mol, XLogP of 7.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-(3-thiophen-2-ylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 67039494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).