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

C51H88Si7 — CID 173474429

IUPACtris[2,5-dimethyl-3,6-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](c2c(C)c([Si](C)(C)C)cc(C)c2[Si](C)(C)C)(c2c(C)c([Si](C)(C)C)cc(C)c2[Si](C)(C)C)c2c(C)c([Si](C)(C)C)cc(C)c2[Si](C)(C)C)C(C)=C1C
InChIInChI=1S/C51H88Si7/c1-33-29-42(52(11,12)13)38(6)48(45(33)55(20,21)22)58(51(10)32-36(4)37(5)41(51)9,49-39(7)43(53(14,15)16)30-34(2)46(49)56(23,24)25)50-40(8)44(54(17,18)19)31-35(3)47(50)57(26,27)28/h29-32H,1-28H3
InChIKeyCNPIGECEZNCCIO-UHFFFAOYSA-N
MW897.87 g/mol
LogP10.34
Rot. Bonds10

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

tris[2,5-dimethyl-3,6-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173474429) has the molecular formula C51H88Si7 and a molecular weight of 897.87 g/mol. Its IUPAC name is tris[2,5-dimethyl-3,6-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nametris[2,5-dimethyl-3,6-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173474429
Molecular FormulaC51H88Si7
Molecular Weight897.87 g/mol
Exact Mass896.53
IUPAC Nametris[2,5-dimethyl-3,6-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](c2c(C)c([Si](C)(C)C)cc(C)c2[Si](C)(C)C)(c2c(C)c([Si](C)(C)C)cc(C)c2[Si](C)(C)C)c2c(C)c([Si](C)(C)C)cc(C)c2[Si](C)(C)C)C(C)=C1C
InChIInChI=1S/C51H88Si7/c1-33-29-42(52(11,12)13)38(6)48(45(33)55(20,21)22)58(51(10)32-36(4)37(5)41(51)9,49-39(7)43(53(14,15)16)30-34(2)46(49)56(23,24)25)50-40(8)44(54(17,18)19)31-35(3)47(50)57(26,27)28/h29-32H,1-28H3
InChIKeyCNPIGECEZNCCIO-UHFFFAOYSA-N
XLogP10.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.87
LogP ≤ 510.34
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[2,5-dimethyl-3,6-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of tris[2,5-dimethyl-3,6-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 173474429) is tris[2,5-dimethyl-3,6-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for tris[2,5-dimethyl-3,6-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for tris[2,5-dimethyl-3,6-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=CC(C)([Si](c2c(C)c([Si](C)(C)C)cc(C)c2[Si](C)(C)C)(c2c(C)c([Si](C)(C)C)cc(C)c2[Si](C)(C)C)c2c(C)c([Si](C)(C)C)cc(C)c2[Si](C)(C)C)C(C)=C1C.
What is the InChIKey of tris[2,5-dimethyl-3,6-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is CNPIGECEZNCCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H88Si7/c1-33-29-42(52(11,12)13)38(6)48(45(33)55(20,21)22)58(51(10)32-36(4)37(5)41(51)9,49-39(7)43(53(14,15)16)30-34(2)46(49)56(23,24)25)50-40(8)44(54(17,18)19)31-35(3)47(50)57(26,27)28/h29-32H,1-28H3.
What are the key properties of tris[2,5-dimethyl-3,6-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
tris[2,5-dimethyl-3,6-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 897.87 g/mol, XLogP of 10.34, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2,5-dimethyl-3,6-bis(trimethylsilyl)phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173474429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).