tris(4-methylphenyl)-tris(4-methylphenyl)silyloxysilane

C42H42OSi2 — CID 87172931

IUPACtris(4-methylphenyl)-tris(4-methylphenyl)silyloxysilane
SMILESCc1ccc([Si](O[Si](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C42H42OSi2/c1-31-7-19-37(20-8-31)44(38-21-9-32(2)10-22-38,39-23-11-33(3)12-24-39)43-45(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
InChIKeyPTKAPAMAOKCSGS-UHFFFAOYSA-N
MW618.97 g/mol
LogP6.19
Rot. Bonds8

About tris(4-methylphenyl)-tris(4-methylphenyl)silyloxysilane

tris(4-methylphenyl)-tris(4-methylphenyl)silyloxysilane (PubChem CID 87172931) has the molecular formula C42H42OSi2 and a molecular weight of 618.97 g/mol. Its IUPAC name is tris(4-methylphenyl)-tris(4-methylphenyl)silyloxysilane.

Molecular Properties

Compound Nametris(4-methylphenyl)-tris(4-methylphenyl)silyloxysilane
PubChem CID87172931
Molecular FormulaC42H42OSi2
Molecular Weight618.97 g/mol
Exact Mass618.28
IUPAC Nametris(4-methylphenyl)-tris(4-methylphenyl)silyloxysilane
SMILESCc1ccc([Si](O[Si](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C42H42OSi2/c1-31-7-19-37(20-8-31)44(38-21-9-32(2)10-22-38,39-23-11-33(3)12-24-39)43-45(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
InChIKeyPTKAPAMAOKCSGS-UHFFFAOYSA-N
XLogP6.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.97
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(4-methylphenyl)-propan-2-yloxysilane
CID 139908484
tris(3-methylphenyl)-triphenylsilyloxysilane
CID 5140856
dimethoxy-methyl-(4-methylphenyl)silane
CID 22365046
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083
platinum;1,4-xylene
CID 173034643
tris(4-methylphenyl)silyl 5-chloropentanoate
CID 87706425
(4-methylphenyl)-tri(propan-2-yloxy)silane
CID 18410686
(4-methylphenyl)-diphenyl-triphenylsilylsilane
CID 4518674
[bis(4-methylphenyl)-phenylsilyl]-bis(4-methylphenyl)-phenylsilane
CID 5077893
tris(4-methylphenyl)-methylsilylsilane
CID 123623839
N-[4-[dimethyl-(4-methylphenyl)silyl]phenyl]-N,4-dimethylaniline
CID 23593172

Frequently Asked Questions

What is the IUPAC name of tris(4-methylphenyl)-tris(4-methylphenyl)silyloxysilane?
The IUPAC name of tris(4-methylphenyl)-tris(4-methylphenyl)silyloxysilane (CID 87172931) is tris(4-methylphenyl)-tris(4-methylphenyl)silyloxysilane.
What is the SMILES notation for tris(4-methylphenyl)-tris(4-methylphenyl)silyloxysilane?
The canonical SMILES for tris(4-methylphenyl)-tris(4-methylphenyl)silyloxysilane is Cc1ccc([Si](O[Si](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of tris(4-methylphenyl)-tris(4-methylphenyl)silyloxysilane?
The InChIKey is PTKAPAMAOKCSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42OSi2/c1-31-7-19-37(20-8-31)44(38-21-9-32(2)10-22-38,39-23-11-33(3)12-24-39)43-45(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)silyloxysilane?
tris(4-methylphenyl)-tris(4-methylphenyl)silyloxysilane has a molecular weight of 618.97 g/mol, XLogP of 6.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methylphenyl)-tris(4-methylphenyl)silyloxysilane is sourced from PubChem (CID 87172931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).