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

C48H82Si7 — CID 173474943

IUPACtris[3-methyl-2,4-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](c2ccc([Si](C)(C)C)c(C)c2[Si](C)(C)C)(c2ccc([Si](C)(C)C)c(C)c2[Si](C)(C)C)c2ccc([Si](C)(C)C)c(C)c2[Si](C)(C)C)C(C)=C1C
InChIInChI=1S/C48H82Si7/c1-33-32-48(7,38(6)34(33)2)55(42-29-26-39(49(8,9)10)35(3)45(42)52(17,18)19,43-30-27-40(50(11,12)13)36(4)46(43)53(20,21)22)44-31-28-41(51(14,15)16)37(5)47(44)54(23,24)25/h26-32H,1-25H3
InChIKeyWPWBZOCDCIBJSX-UHFFFAOYSA-N
MW855.79 g/mol
LogP9.41
Rot. Bonds10

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

tris[3-methyl-2,4-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173474943) has the molecular formula C48H82Si7 and a molecular weight of 855.79 g/mol. Its IUPAC name is tris[3-methyl-2,4-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nametris[3-methyl-2,4-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173474943
Molecular FormulaC48H82Si7
Molecular Weight855.79 g/mol
Exact Mass854.48
IUPAC Nametris[3-methyl-2,4-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](c2ccc([Si](C)(C)C)c(C)c2[Si](C)(C)C)(c2ccc([Si](C)(C)C)c(C)c2[Si](C)(C)C)c2ccc([Si](C)(C)C)c(C)c2[Si](C)(C)C)C(C)=C1C
InChIInChI=1S/C48H82Si7/c1-33-32-48(7,38(6)34(33)2)55(42-29-26-39(49(8,9)10)35(3)45(42)52(17,18)19,43-30-27-40(50(11,12)13)36(4)46(43)53(20,21)22)44-31-28-41(51(14,15)16)37(5)47(44)54(23,24)25/h26-32H,1-25H3
InChIKeyWPWBZOCDCIBJSX-UHFFFAOYSA-N
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.79
LogP ≤ 59.41
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[3-methyl-2,4-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of tris[3-methyl-2,4-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 173474943) is tris[3-methyl-2,4-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for tris[3-methyl-2,4-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for tris[3-methyl-2,4-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=CC(C)([Si](c2ccc([Si](C)(C)C)c(C)c2[Si](C)(C)C)(c2ccc([Si](C)(C)C)c(C)c2[Si](C)(C)C)c2ccc([Si](C)(C)C)c(C)c2[Si](C)(C)C)C(C)=C1C.
What is the InChIKey of tris[3-methyl-2,4-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is WPWBZOCDCIBJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H82Si7/c1-33-32-48(7,38(6)34(33)2)55(42-29-26-39(49(8,9)10)35(3)45(42)52(17,18)19,43-30-27-40(50(11,12)13)36(4)46(43)53(20,21)22)44-31-28-41(51(14,15)16)37(5)47(44)54(23,24)25/h26-32H,1-25H3.
What are the key properties of tris[3-methyl-2,4-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
tris[3-methyl-2,4-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 855.79 g/mol, XLogP of 9.41, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[3-methyl-2,4-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173474943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).