bis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C35H46Si2 — CID 123649391

IUPACbis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2cc(C)cc([Si](C)(C)C)c2)(c2c(C)cccc2C)c2c(C)cccc2C)=C1C
InChIInChI=1S/C35H46Si2/c1-22-19-31(36(10,11)12)21-32(20-22)37(33-23(2)15-13-16-24(33)3,34-25(4)17-14-18-26(34)5)35-29(8)27(6)28(7)30(35)9/h13-21,29H,1-12H3
InChIKeyMMCNZSYIHRCLBC-UHFFFAOYSA-N
MW522.93 g/mol
LogP7.09
Rot. Bonds5

About bis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

bis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 123649391) has the molecular formula C35H46Si2 and a molecular weight of 522.93 g/mol. Its IUPAC name is bis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Namebis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID123649391
Molecular FormulaC35H46Si2
Molecular Weight522.93 g/mol
Exact Mass522.31
IUPAC Namebis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2cc(C)cc([Si](C)(C)C)c2)(c2c(C)cccc2C)c2c(C)cccc2C)=C1C
InChIInChI=1S/C35H46Si2/c1-22-19-31(36(10,11)12)21-32(20-22)37(33-23(2)15-13-16-24(33)3,34-25(4)17-14-18-26(34)5)35-29(8)27(6)28(7)30(35)9/h13-21,29H,1-12H3
InChIKeyMMCNZSYIHRCLBC-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.93
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of bis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 123649391) is bis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for bis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for bis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC1=C(C)C(C)C([Si](c2cc(C)cc([Si](C)(C)C)c2)(c2c(C)cccc2C)c2c(C)cccc2C)=C1C.
What is the InChIKey of bis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is MMCNZSYIHRCLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46Si2/c1-22-19-31(36(10,11)12)21-32(20-22)37(33-23(2)15-13-16-24(33)3,34-25(4)17-14-18-26(34)5)35-29(8)27(6)28(7)30(35)9/h13-21,29H,1-12H3.
What are the key properties of bis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
bis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 522.93 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 123649391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).