(4-bromo-6-methyl-8aH-cyclopenta[f][1,3]benzodioxol-7-yl)-(9H-fluoren-9-yl)-dimethylsilane

C26H23BrO2Si — CID 87245419

IUPAC(4-bromo-6-methyl-8aH-cyclopenta[f][1,3]benzodioxol-7-yl)-(9H-fluoren-9-yl)-dimethylsilane
SMILESCC1=C([Si](C)(C)C2c3ccccc3-c3ccccc32)C2=CC3OCOC3=C(Br)C2=C1
InChIInChI=1S/C26H23BrO2Si/c1-15-12-20-21(13-22-24(23(20)27)29-14-28-22)25(15)30(2,3)26-18-10-6-4-8-16(18)17-9-5-7-11-19(17)26/h4-13,22,26H,14H2,1-3H3
InChIKeyWADLJBRSHCNESF-UHFFFAOYSA-N
MW475.46 g/mol
LogP6.76
Rot. Bonds2

About (4-bromo-6-methyl-8aH-cyclopenta[f][1,3]benzodioxol-7-yl)-(9H-fluoren-9-yl)-dimethylsilane

(4-bromo-6-methyl-8aH-cyclopenta[f][1,3]benzodioxol-7-yl)-(9H-fluoren-9-yl)-dimethylsilane (PubChem CID 87245419) has the molecular formula C26H23BrO2Si and a molecular weight of 475.46 g/mol. Its IUPAC name is (4-bromo-6-methyl-8aH-cyclopenta[f][1,3]benzodioxol-7-yl)-(9H-fluoren-9-yl)-dimethylsilane.

Molecular Properties

Compound Name(4-bromo-6-methyl-8aH-cyclopenta[f][1,3]benzodioxol-7-yl)-(9H-fluoren-9-yl)-dimethylsilane
PubChem CID87245419
Molecular FormulaC26H23BrO2Si
Molecular Weight475.46 g/mol
Exact Mass474.07
IUPAC Name(4-bromo-6-methyl-8aH-cyclopenta[f][1,3]benzodioxol-7-yl)-(9H-fluoren-9-yl)-dimethylsilane
SMILESCC1=C([Si](C)(C)C2c3ccccc3-c3ccccc32)C2=CC3OCOC3=C(Br)C2=C1
InChIInChI=1S/C26H23BrO2Si/c1-15-12-20-21(13-22-24(23(20)27)29-14-28-22)25(15)30(2,3)26-18-10-6-4-8-16(18)17-9-5-7-11-19(17)26/h4-13,22,26H,14H2,1-3H3
InChIKeyWADLJBRSHCNESF-UHFFFAOYSA-N
XLogP6.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.46
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-6-methyl-8aH-cyclopenta[f][1,3]benzodioxol-7-yl)-(9H-fluoren-9-yl)-dimethylsilane?
The IUPAC name of (4-bromo-6-methyl-8aH-cyclopenta[f][1,3]benzodioxol-7-yl)-(9H-fluoren-9-yl)-dimethylsilane (CID 87245419) is (4-bromo-6-methyl-8aH-cyclopenta[f][1,3]benzodioxol-7-yl)-(9H-fluoren-9-yl)-dimethylsilane.
What is the SMILES notation for (4-bromo-6-methyl-8aH-cyclopenta[f][1,3]benzodioxol-7-yl)-(9H-fluoren-9-yl)-dimethylsilane?
The canonical SMILES for (4-bromo-6-methyl-8aH-cyclopenta[f][1,3]benzodioxol-7-yl)-(9H-fluoren-9-yl)-dimethylsilane is CC1=C([Si](C)(C)C2c3ccccc3-c3ccccc32)C2=CC3OCOC3=C(Br)C2=C1.
What is the InChIKey of (4-bromo-6-methyl-8aH-cyclopenta[f][1,3]benzodioxol-7-yl)-(9H-fluoren-9-yl)-dimethylsilane?
The InChIKey is WADLJBRSHCNESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrO2Si/c1-15-12-20-21(13-22-24(23(20)27)29-14-28-22)25(15)30(2,3)26-18-10-6-4-8-16(18)17-9-5-7-11-19(17)26/h4-13,22,26H,14H2,1-3H3.
What are the key properties of (4-bromo-6-methyl-8aH-cyclopenta[f][1,3]benzodioxol-7-yl)-(9H-fluoren-9-yl)-dimethylsilane?
(4-bromo-6-methyl-8aH-cyclopenta[f][1,3]benzodioxol-7-yl)-(9H-fluoren-9-yl)-dimethylsilane has a molecular weight of 475.46 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-6-methyl-8aH-cyclopenta[f][1,3]benzodioxol-7-yl)-(9H-fluoren-9-yl)-dimethylsilane is sourced from PubChem (CID 87245419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).