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

C45H76Si7 — CID 140632052

IUPACtris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2cc([Si](C)(C)C)ccc2[Si](C)(C)C)(c2cc([Si](C)(C)C)ccc2[Si](C)(C)C)c2cc([Si](C)(C)C)ccc2[Si](C)(C)C)=C1C
InChIInChI=1S/C45H76Si7/c1-32-33(2)35(4)45(34(32)3)52(42-29-36(46(5,6)7)23-26-39(42)49(14,15)16,43-30-37(47(8,9)10)24-27-40(43)50(17,18)19)44-31-38(48(11,12)13)25-28-41(44)51(20,21)22/h23-31,34H,1-22H3
InChIKeyWVTOFUWKMKCCGC-UHFFFAOYSA-N
MW813.70 g/mol
LogP8.27
Rot. Bonds10

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

tris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 140632052) has the molecular formula C45H76Si7 and a molecular weight of 813.70 g/mol. Its IUPAC name is tris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID140632052
Molecular FormulaC45H76Si7
Molecular Weight813.70 g/mol
Exact Mass812.43
IUPAC Nametris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2cc([Si](C)(C)C)ccc2[Si](C)(C)C)(c2cc([Si](C)(C)C)ccc2[Si](C)(C)C)c2cc([Si](C)(C)C)ccc2[Si](C)(C)C)=C1C
InChIInChI=1S/C45H76Si7/c1-32-33(2)35(4)45(34(32)3)52(42-29-36(46(5,6)7)23-26-39(42)49(14,15)16,43-30-37(47(8,9)10)24-27-40(43)50(17,18)19)44-31-38(48(11,12)13)25-28-41(44)51(20,21)22/h23-31,34H,1-22H3
InChIKeyWVTOFUWKMKCCGC-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.70
LogP ≤ 58.27
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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Related Compounds

tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123309885
tris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140632013
tris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123218086
tris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123324851
bis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123649391
trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane
CID 123948663
tris[4,6-dimethyl-2,3-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123672783
(2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123169075
(3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123421770
tris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123447228
tris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123565851
tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 86667942

Frequently Asked Questions

What is the IUPAC name of tris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 140632052) is tris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC1=C(C)C(C)C([Si](c2cc([Si](C)(C)C)ccc2[Si](C)(C)C)(c2cc([Si](C)(C)C)ccc2[Si](C)(C)C)c2cc([Si](C)(C)C)ccc2[Si](C)(C)C)=C1C.
What is the InChIKey of tris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is WVTOFUWKMKCCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H76Si7/c1-32-33(2)35(4)45(34(32)3)52(42-29-36(46(5,6)7)23-26-39(42)49(14,15)16,43-30-37(47(8,9)10)24-27-40(43)50(17,18)19)44-31-38(48(11,12)13)25-28-41(44)51(20,21)22/h23-31,34H,1-22H3.
What are the key properties of tris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
tris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 813.70 g/mol, XLogP of 8.27, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 140632052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).