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

C51H88Si7 — CID 140632013

IUPACtris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2c([Si](C)(C)C)cc([Si](C)(C)C)c(C)c2C)(c2c([Si](C)(C)C)cc([Si](C)(C)C)c(C)c2C)c2c([Si](C)(C)C)cc([Si](C)(C)C)c(C)c2C)=C1C
InChIInChI=1S/C51H88Si7/c1-32-33(2)38(7)48(37(32)6)58(49-39(8)34(3)42(52(11,12)13)29-45(49)55(20,21)22,50-40(9)35(4)43(53(14,15)16)30-46(50)56(23,24)25)51-41(10)36(5)44(54(17,18)19)31-47(51)57(26,27)28/h29-31,37H,1-28H3
InChIKeyAOORTUFBSIICFX-UHFFFAOYSA-N
MW897.87 g/mol
LogP10.12
Rot. Bonds10

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

tris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 140632013) has the molecular formula C51H88Si7 and a molecular weight of 897.87 g/mol. Its IUPAC name is tris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID140632013
Molecular FormulaC51H88Si7
Molecular Weight897.87 g/mol
Exact Mass896.53
IUPAC Nametris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2c([Si](C)(C)C)cc([Si](C)(C)C)c(C)c2C)(c2c([Si](C)(C)C)cc([Si](C)(C)C)c(C)c2C)c2c([Si](C)(C)C)cc([Si](C)(C)C)c(C)c2C)=C1C
InChIInChI=1S/C51H88Si7/c1-32-33(2)38(7)48(37(32)6)58(49-39(8)34(3)42(52(11,12)13)29-45(49)55(20,21)22,50-40(9)35(4)43(53(14,15)16)30-46(50)56(23,24)25)51-41(10)36(5)44(54(17,18)19)31-47(51)57(26,27)28/h29-31,37H,1-28H3
InChIKeyAOORTUFBSIICFX-UHFFFAOYSA-N
XLogP10.12
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 ≤ 510.12
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[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 140632013) is tris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC1=C(C)C(C)C([Si](c2c([Si](C)(C)C)cc([Si](C)(C)C)c(C)c2C)(c2c([Si](C)(C)C)cc([Si](C)(C)C)c(C)c2C)c2c([Si](C)(C)C)cc([Si](C)(C)C)c(C)c2C)=C1C.
What is the InChIKey of tris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is AOORTUFBSIICFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H88Si7/c1-32-33(2)38(7)48(37(32)6)58(49-39(8)34(3)42(52(11,12)13)29-45(49)55(20,21)22,50-40(9)35(4)43(53(14,15)16)30-46(50)56(23,24)25)51-41(10)36(5)44(54(17,18)19)31-47(51)57(26,27)28/h29-31,37H,1-28H3.
What are the key properties of tris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
tris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 897.87 g/mol, XLogP of 10.12, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 140632013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).