tetrakis(2-methyl-1H-inden-1-yl)silane

C40H36Si — CID 54395226

IUPACtetrakis(2-methyl-1H-inden-1-yl)silane
SMILESCC1=Cc2ccccc2C1[Si](C1C(C)=Cc2ccccc21)(C1C(C)=Cc2ccccc21)C1C(C)=Cc2ccccc21
InChIInChI=1S/C40H36Si/c1-25-21-29-13-5-9-17-33(29)37(25)41(38-26(2)22-30-14-6-10-18-34(30)38,39-27(3)23-31-15-7-11-19-35(31)39)40-28(4)24-32-16-8-12-20-36(32)40/h5-24,37-40H,1-4H3
InChIKeyVJLVLOLAEJGIRP-UHFFFAOYSA-N
MW544.81 g/mol
LogP10.39
Rot. Bonds4

About tetrakis(2-methyl-1H-inden-1-yl)silane

tetrakis(2-methyl-1H-inden-1-yl)silane (PubChem CID 54395226) has the molecular formula C40H36Si and a molecular weight of 544.81 g/mol. Its IUPAC name is tetrakis(2-methyl-1H-inden-1-yl)silane.

Molecular Properties

Compound Nametetrakis(2-methyl-1H-inden-1-yl)silane
PubChem CID54395226
Molecular FormulaC40H36Si
Molecular Weight544.81 g/mol
Exact Mass544.26
IUPAC Nametetrakis(2-methyl-1H-inden-1-yl)silane
SMILESCC1=Cc2ccccc2C1[Si](C1C(C)=Cc2ccccc21)(C1C(C)=Cc2ccccc21)C1C(C)=Cc2ccccc21
InChIInChI=1S/C40H36Si/c1-25-21-29-13-5-9-17-33(29)37(25)41(38-26(2)22-30-14-6-10-18-34(30)38,39-27(3)23-31-15-7-11-19-35(31)39)40-28(4)24-32-16-8-12-20-36(32)40/h5-24,37-40H,1-4H3
InChIKeyVJLVLOLAEJGIRP-UHFFFAOYSA-N
XLogP10.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.81
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 tetrakis(2-methyl-1H-inden-1-yl)silane?
The IUPAC name of tetrakis(2-methyl-1H-inden-1-yl)silane (CID 54395226) is tetrakis(2-methyl-1H-inden-1-yl)silane.
What is the SMILES notation for tetrakis(2-methyl-1H-inden-1-yl)silane?
The canonical SMILES for tetrakis(2-methyl-1H-inden-1-yl)silane is CC1=Cc2ccccc2C1[Si](C1C(C)=Cc2ccccc21)(C1C(C)=Cc2ccccc21)C1C(C)=Cc2ccccc21.
What is the InChIKey of tetrakis(2-methyl-1H-inden-1-yl)silane?
The InChIKey is VJLVLOLAEJGIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36Si/c1-25-21-29-13-5-9-17-33(29)37(25)41(38-26(2)22-30-14-6-10-18-34(30)38,39-27(3)23-31-15-7-11-19-35(31)39)40-28(4)24-32-16-8-12-20-36(32)40/h5-24,37-40H,1-4H3.
What are the key properties of tetrakis(2-methyl-1H-inden-1-yl)silane?
tetrakis(2-methyl-1H-inden-1-yl)silane has a molecular weight of 544.81 g/mol, XLogP of 10.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-methyl-1H-inden-1-yl)silane is sourced from PubChem (CID 54395226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).