trimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane

C36H38Si2 — CID 25147174

IUPACtrimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane
SMILESC[Si](C)(C)C#CC(C(=C=C(c1ccccc1)c1ccccc1)[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H38Si2/c1-37(2,3)28-27-36(32-23-15-9-16-24-32,33-25-17-10-18-26-33)35(38(4,5)6)29-34(30-19-11-7-12-20-30)31-21-13-8-14-22-31/h7-26H,1-6H3
InChIKeyIQDFWDABFQGFHP-UHFFFAOYSA-N
MW526.87 g/mol
LogP9.39
Rot. Bonds6

About trimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane

trimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane (PubChem CID 25147174) has the molecular formula C36H38Si2 and a molecular weight of 526.87 g/mol. Its IUPAC name is trimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane.

Molecular Properties

Compound Nametrimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane
PubChem CID25147174
Molecular FormulaC36H38Si2
Molecular Weight526.87 g/mol
Exact Mass526.25
IUPAC Nametrimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane
SMILESC[Si](C)(C)C#CC(C(=C=C(c1ccccc1)c1ccccc1)[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H38Si2/c1-37(2,3)28-27-36(32-23-15-9-16-24-32,33-25-17-10-18-26-33)35(38(4,5)6)29-34(30-19-11-7-12-20-30)31-21-13-8-14-22-31/h7-26H,1-6H3
InChIKeyIQDFWDABFQGFHP-UHFFFAOYSA-N
XLogP9.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.87
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2-Tetraphenylethane
CID 137531
1,1',1'',1'''-Methanetetrayltetrakis(benzene)
CID 12424
4,4'',4'''',4''''''-Silanetetrayltetrakis(1,1'-biphenyl)
CID 76878
Stannane, tetrakis(2-methyl-2-phenylpropyl)-
CID 97087
1,1'-Biphenyl, 4-(triphenylsilyl)-
CID 76637
Diphenyldi(O-tolyl)silane
CID 3522575
Bis(phenylethynyl)diphenylsilane
CID 5213428
Tetrakis(4-ethynylphenyl)methane
CID 12157742
4,4''-(Diphenylsilylene)bis(1,1'-biphenyl)
CID 76636
6,13-Bis(triisopropylsilylethynyl)pentacene
CID 15530606
9,10-Bis[(triisopropylsilyl)ethynyl]anthracene
CID 71310996
Bromo(dimethyl)tritylsilane
CID 15830523

Frequently Asked Questions

What is the IUPAC name of trimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane?
The IUPAC name of trimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane (CID 25147174) is trimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane.
What is the SMILES notation for trimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane?
The canonical SMILES for trimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane is C[Si](C)(C)C#CC(C(=C=C(c1ccccc1)c1ccccc1)[Si](C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of trimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane?
The InChIKey is IQDFWDABFQGFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38Si2/c1-37(2,3)28-27-36(32-23-15-9-16-24-32,33-25-17-10-18-26-33)35(38(4,5)6)29-34(30-19-11-7-12-20-30)31-21-13-8-14-22-31/h7-26H,1-6H3.
What are the key properties of trimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane?
trimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane has a molecular weight of 526.87 g/mol, XLogP of 9.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(1,1,4,4-tetraphenyl-6-trimethylsilylhexa-1,2-dien-5-yn-3-yl)silane is sourced from PubChem (CID 25147174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).