(4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane

C25H27BrSi — CID 87245819

IUPAC(4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane
SMILESCC1=C([Si](C)(C)C2=Cc3ccccc3C2)C2=CC3=C(CCCC3)C(Br)C2=C1
InChIInChI=1S/C25H27BrSi/c1-16-12-22-23(15-19-10-6-7-11-21(19)24(22)26)25(16)27(2,3)20-13-17-8-4-5-9-18(17)14-20/h4-5,8-9,12-13,15,24H,6-7,10-11,14H2,1-3H3
InChIKeyCRCNAHNLTXFIGD-UHFFFAOYSA-N
MW435.48 g/mol
LogP7.24
Rot. Bonds2

About (4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane

(4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane (PubChem CID 87245819) has the molecular formula C25H27BrSi and a molecular weight of 435.48 g/mol. Its IUPAC name is (4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane.

Molecular Properties

Compound Name(4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane
PubChem CID87245819
Molecular FormulaC25H27BrSi
Molecular Weight435.48 g/mol
Exact Mass434.11
IUPAC Name(4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane
SMILESCC1=C([Si](C)(C)C2=Cc3ccccc3C2)C2=CC3=C(CCCC3)C(Br)C2=C1
InChIInChI=1S/C25H27BrSi/c1-16-12-22-23(15-19-10-6-7-11-21(19)24(22)26)25(16)27(2,3)20-13-17-8-4-5-9-18(17)14-20/h4-5,8-9,12-13,15,24H,6-7,10-11,14H2,1-3H3
InChIKeyCRCNAHNLTXFIGD-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane?
The IUPAC name of (4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane (CID 87245819) is (4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane.
What is the SMILES notation for (4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane?
The canonical SMILES for (4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane is CC1=C([Si](C)(C)C2=Cc3ccccc3C2)C2=CC3=C(CCCC3)C(Br)C2=C1.
What is the InChIKey of (4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane?
The InChIKey is CRCNAHNLTXFIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrSi/c1-16-12-22-23(15-19-10-6-7-11-21(19)24(22)26)25(16)27(2,3)20-13-17-8-4-5-9-18(17)14-20/h4-5,8-9,12-13,15,24H,6-7,10-11,14H2,1-3H3.
What are the key properties of (4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane?
(4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane has a molecular weight of 435.48 g/mol, XLogP of 7.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane is sourced from PubChem (CID 87245819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).