tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C39H58Si4 — CID 123309885

IUPACtris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2ccc([Si](C)(C)C)c(C)c2)(c2ccc([Si](C)(C)C)c(C)c2)c2ccc([Si](C)(C)C)c(C)c2)=C1C
InChIInChI=1S/C39H58Si4/c1-26-23-33(17-20-36(26)40(8,9)10)43(39-31(6)29(4)30(5)32(39)7,34-18-21-37(27(2)24-34)41(11,12)13)35-19-22-38(28(3)25-35)42(14,15)16/h17-25,31H,1-16H3
InChIKeyVZHVYCVQSDRVBK-UHFFFAOYSA-N
MW639.24 g/mol
LogP7.56
Rot. Bonds7

About tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 123309885) has the molecular formula C39H58Si4 and a molecular weight of 639.24 g/mol. Its IUPAC name is tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID123309885
Molecular FormulaC39H58Si4
Molecular Weight639.24 g/mol
Exact Mass638.36
IUPAC Nametris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2ccc([Si](C)(C)C)c(C)c2)(c2ccc([Si](C)(C)C)c(C)c2)c2ccc([Si](C)(C)C)c(C)c2)=C1C
InChIInChI=1S/C39H58Si4/c1-26-23-33(17-20-36(26)40(8,9)10)43(39-31(6)29(4)30(5)32(39)7,34-18-21-37(27(2)24-34)41(11,12)13)35-19-22-38(28(3)25-35)42(14,15)16/h17-25,31H,1-16H3
InChIKeyVZHVYCVQSDRVBK-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.24
LogP ≤ 57.56
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'}

Analyze tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris[2,5-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140632052
tris[6-methyl-2,3,4-tris(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123324851
tris[4,6-dimethyl-2,3-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123672783
tris(2,4-dimethyl-3-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123218086
tris[2,3-dimethyl-4,6-bis(trimethylsilyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140632013
(3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123421770
tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140671833
(2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123169075
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-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 86667942
tris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123447228

Frequently Asked Questions

What is the IUPAC name of tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 123309885) is tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC1=C(C)C(C)C([Si](c2ccc([Si](C)(C)C)c(C)c2)(c2ccc([Si](C)(C)C)c(C)c2)c2ccc([Si](C)(C)C)c(C)c2)=C1C.
What is the InChIKey of tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is VZHVYCVQSDRVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H58Si4/c1-26-23-33(17-20-36(26)40(8,9)10)43(39-31(6)29(4)30(5)32(39)7,34-18-21-37(27(2)24-34)41(11,12)13)35-19-22-38(28(3)25-35)42(14,15)16/h17-25,31H,1-16H3.
What are the key properties of tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 639.24 g/mol, XLogP of 7.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 123309885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).