tris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C57H106Si10 — CID 123324851

IUPACtris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2c(C)cc([Si](C)(C)C)c([Si](C)(C)C)c2[Si](C)(C)C)(c2c(C)cc([Si](C)(C)C)c([Si](C)(C)C)c2[Si](C)(C)C)c2c(C)cc([Si](C)(C)C)c([Si](C)(C)C)c2[Si](C)(C)C)=C1C
InChIInChI=1S/C57H106Si10/c1-38-35-45(58(8,9)10)52(61(17,18)19)55(64(26,27)28)48(38)67(51-43(6)41(4)42(5)44(51)7,49-39(2)36-46(59(11,12)13)53(62(20,21)22)56(49)65(29,30)31)50-40(3)37-47(60(14,15)16)54(63(23,24)25)57(50)66(32,33)34/h35-37,43H,1-34H3
InChIKeyAOBHVBPWLAQRPE-UHFFFAOYSA-N
MW1072.33 g/mol
LogP10.83
Rot. Bonds13

About tris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

tris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 123324851) has the molecular formula C57H106Si10 and a molecular weight of 1072.33 g/mol. Its IUPAC name is tris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID123324851
Molecular FormulaC57H106Si10
Molecular Weight1072.33 g/mol
Exact Mass1070.60
IUPAC Nametris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2c(C)cc([Si](C)(C)C)c([Si](C)(C)C)c2[Si](C)(C)C)(c2c(C)cc([Si](C)(C)C)c([Si](C)(C)C)c2[Si](C)(C)C)c2c(C)cc([Si](C)(C)C)c([Si](C)(C)C)c2[Si](C)(C)C)=C1C
InChIInChI=1S/C57H106Si10/c1-38-35-45(58(8,9)10)52(61(17,18)19)55(64(26,27)28)48(38)67(51-43(6)41(4)42(5)44(51)7,49-39(2)36-46(59(11,12)13)53(62(20,21)22)56(49)65(29,30)31)50-40(3)37-47(60(14,15)16)54(63(23,24)25)57(50)66(32,33)34/h35-37,43H,1-34H3
InChIKeyAOBHVBPWLAQRPE-UHFFFAOYSA-N
XLogP10.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001072.33
LogP ≤ 510.83
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[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 123324851) is tris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC1=C(C)C(C)C([Si](c2c(C)cc([Si](C)(C)C)c([Si](C)(C)C)c2[Si](C)(C)C)(c2c(C)cc([Si](C)(C)C)c([Si](C)(C)C)c2[Si](C)(C)C)c2c(C)cc([Si](C)(C)C)c([Si](C)(C)C)c2[Si](C)(C)C)=C1C.
What is the InChIKey of tris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is AOBHVBPWLAQRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H106Si10/c1-38-35-45(58(8,9)10)52(61(17,18)19)55(64(26,27)28)48(38)67(51-43(6)41(4)42(5)44(51)7,49-39(2)36-46(59(11,12)13)53(62(20,21)22)56(49)65(29,30)31)50-40(3)37-47(60(14,15)16)54(63(23,24)25)57(50)66(32,33)34/h35-37,43H,1-34H3.
What are the key properties of tris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
tris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 1072.33 g/mol, XLogP of 10.83, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 123324851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).