[1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane

C34H32BrPSi — CID 87245680

IUPAC[1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane
SMILESCC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c1cccc2P(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H32BrPSi/c1-23-21-29-27(17-11-19-31(29)35)33(23)37(3,4)34-24(2)22-30-28(34)18-12-20-32(30)36(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-22,33-34H,1-4H3
InChIKeyRGGROMAIZNHNSG-UHFFFAOYSA-N
MW579.59 g/mol
LogP8.70
Rot. Bonds5

About [1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane

[1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane (PubChem CID 87245680) has the molecular formula C34H32BrPSi and a molecular weight of 579.59 g/mol. Its IUPAC name is [1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane
PubChem CID87245680
Molecular FormulaC34H32BrPSi
Molecular Weight579.59 g/mol
Exact Mass578.12
IUPAC Name[1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane
SMILESCC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c1cccc2P(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H32BrPSi/c1-23-21-29-27(17-11-19-31(29)35)33(23)37(3,4)34-24(2)22-30-28(34)18-12-20-32(30)36(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-22,33-34H,1-4H3
InChIKeyRGGROMAIZNHNSG-UHFFFAOYSA-N
XLogP8.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.59
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane?
The IUPAC name of [1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane (CID 87245680) is [1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane.
What is the SMILES notation for [1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane?
The canonical SMILES for [1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane is CC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c1cccc2P(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane?
The InChIKey is RGGROMAIZNHNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32BrPSi/c1-23-21-29-27(17-11-19-31(29)35)33(23)37(3,4)34-24(2)22-30-28(34)18-12-20-32(30)36(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-22,33-34H,1-4H3.
What are the key properties of [1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane?
[1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane has a molecular weight of 579.59 g/mol, XLogP of 8.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane is sourced from PubChem (CID 87245680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).