tris(4-methylphenyl)-tris(4-methylphenyl)silylsilane

C42H42Si2 — CID 627323

IUPACtris(4-methylphenyl)-tris(4-methylphenyl)silylsilane
SMILESCc1ccc([Si](c2ccc(C)cc2)(c2ccc(C)cc2)[Si](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C42H42Si2/c1-31-7-19-37(20-8-31)43(38-21-9-32(2)10-22-38,39-23-11-33(3)12-24-39)44(40-25-13-34(4)14-26-40,41-27-15-35(5)16-28-41)42-29-17-36(6)18-30-42/h7-30H,1-6H3
InChIKeyMFUDFMHDOHEPHP-UHFFFAOYSA-N
MW602.97 g/mol
LogP6.26
Rot. Bonds7

About tris(4-methylphenyl)-tris(4-methylphenyl)silylsilane

tris(4-methylphenyl)-tris(4-methylphenyl)silylsilane (PubChem CID 627323) has the molecular formula C42H42Si2 and a molecular weight of 602.97 g/mol. Its IUPAC name is tris(4-methylphenyl)-tris(4-methylphenyl)silylsilane.

Molecular Properties

Compound Nametris(4-methylphenyl)-tris(4-methylphenyl)silylsilane
PubChem CID627323
Molecular FormulaC42H42Si2
Molecular Weight602.97 g/mol
Exact Mass602.28
IUPAC Nametris(4-methylphenyl)-tris(4-methylphenyl)silylsilane
SMILESCc1ccc([Si](c2ccc(C)cc2)(c2ccc(C)cc2)[Si](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C42H42Si2/c1-31-7-19-37(20-8-31)43(38-21-9-32(2)10-22-38,39-23-11-33(3)12-24-39)44(40-25-13-34(4)14-26-40,41-27-15-35(5)16-28-41)42-29-17-36(6)18-30-42/h7-30H,1-6H3
InChIKeyMFUDFMHDOHEPHP-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.97
LogP ≤ 56.26
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

Octaphenylcyclotetrasilane
CID 70595
Hexaphenyldisilane
CID 74059
4,4'',4'''',4''''''-Silanetetrayltetrakis(1,1'-biphenyl)
CID 76878
1,1'-Biphenyl, 4-(triphenylsilyl)-
CID 76637
Diphenyldi(O-tolyl)silane
CID 3522575
Tetrakis(3-methylphenyl)plumbane
CID 4571693
Bis(phenylethynyl)diphenylsilane
CID 5213428
Tetraphenylphosphanium tetrakis(4-methylphenyl)borate(1-)
CID 23075127
1,4-Bis(triphenylsilyl)benzene
CID 297509
4,4''-(Diphenylsilylene)bis(1,1'-biphenyl)
CID 76636
Distannathiane, hexakis(phenylmethyl)-
CID 16683985
1,3-Bis(triphenylsilyl)benzene
CID 4351127

Frequently Asked Questions

What is the IUPAC name of tris(4-methylphenyl)-tris(4-methylphenyl)silylsilane?
The IUPAC name of tris(4-methylphenyl)-tris(4-methylphenyl)silylsilane (CID 627323) is tris(4-methylphenyl)-tris(4-methylphenyl)silylsilane.
What is the SMILES notation for tris(4-methylphenyl)-tris(4-methylphenyl)silylsilane?
The canonical SMILES for tris(4-methylphenyl)-tris(4-methylphenyl)silylsilane is Cc1ccc([Si](c2ccc(C)cc2)(c2ccc(C)cc2)[Si](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of tris(4-methylphenyl)-tris(4-methylphenyl)silylsilane?
The InChIKey is MFUDFMHDOHEPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42Si2/c1-31-7-19-37(20-8-31)43(38-21-9-32(2)10-22-38,39-23-11-33(3)12-24-39)44(40-25-13-34(4)14-26-40,41-27-15-35(5)16-28-41)42-29-17-36(6)18-30-42/h7-30H,1-6H3.
What are the key properties of tris(4-methylphenyl)-tris(4-methylphenyl)silylsilane?
tris(4-methylphenyl)-tris(4-methylphenyl)silylsilane has a molecular weight of 602.97 g/mol, XLogP of 6.26, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methylphenyl)-tris(4-methylphenyl)silylsilane is sourced from PubChem (CID 627323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).