tris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C42H64Si4 — CID 123218086

IUPACtris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2ccc(C)c([Si](C)(C)C)c2C)(c2ccc(C)c([Si](C)(C)C)c2C)c2ccc(C)c([Si](C)(C)C)c2C)=C1C
InChIInChI=1S/C42H64Si4/c1-26-20-23-36(33(8)39(26)43(11,12)13)46(42-31(6)29(4)30(5)32(42)7,37-24-21-27(2)40(34(37)9)44(14,15)16)38-25-22-28(3)41(35(38)10)45(17,18)19/h20-25,31H,1-19H3
InChIKeySOFFYMMCAQJZJZ-UHFFFAOYSA-N
MW681.32 g/mol
LogP8.48
Rot. Bonds7

About tris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

tris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 123218086) has the molecular formula C42H64Si4 and a molecular weight of 681.32 g/mol. Its IUPAC name is tris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID123218086
Molecular FormulaC42H64Si4
Molecular Weight681.32 g/mol
Exact Mass680.41
IUPAC Nametris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2ccc(C)c([Si](C)(C)C)c2C)(c2ccc(C)c([Si](C)(C)C)c2C)c2ccc(C)c([Si](C)(C)C)c2C)=C1C
InChIInChI=1S/C42H64Si4/c1-26-20-23-36(33(8)39(26)43(11,12)13)46(42-31(6)29(4)30(5)32(42)7,37-24-21-27(2)40(34(37)9)44(14,15)16)38-25-22-28(3)41(35(38)10)45(17,18)19/h20-25,31H,1-19H3
InChIKeySOFFYMMCAQJZJZ-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.32
LogP ≤ 58.48
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 tris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 123218086) is tris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC1=C(C)C(C)C([Si](c2ccc(C)c([Si](C)(C)C)c2C)(c2ccc(C)c([Si](C)(C)C)c2C)c2ccc(C)c([Si](C)(C)C)c2C)=C1C.
What is the InChIKey of tris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is SOFFYMMCAQJZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H64Si4/c1-26-20-23-36(33(8)39(26)43(11,12)13)46(42-31(6)29(4)30(5)32(42)7,37-24-21-27(2)40(34(37)9)44(14,15)16)38-25-22-28(3)41(35(38)10)45(17,18)19/h20-25,31H,1-19H3.
What are the key properties of tris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
tris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 681.32 g/mol, XLogP of 8.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 123218086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).