(3-tert-butylphenyl)-tris(4-methylphenyl)silane

C31H34Si — CID 140946146

IUPAC(3-tert-butylphenyl)-tris(4-methylphenyl)silane
SMILESCc1ccc([Si](c2ccc(C)cc2)(c2ccc(C)cc2)c2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C31H34Si/c1-23-10-16-27(17-11-23)32(28-18-12-24(2)13-19-28,29-20-14-25(3)15-21-29)30-9-7-8-26(22-30)31(4,5)6/h7-22H,1-6H3
InChIKeyWNQQVQCABDAJSZ-UHFFFAOYSA-N
MW434.70 g/mol
LogP5.29
Rot. Bonds4

About (3-tert-butylphenyl)-tris(4-methylphenyl)silane

(3-tert-butylphenyl)-tris(4-methylphenyl)silane (PubChem CID 140946146) has the molecular formula C31H34Si and a molecular weight of 434.70 g/mol. Its IUPAC name is (3-tert-butylphenyl)-tris(4-methylphenyl)silane.

Molecular Properties

Compound Name(3-tert-butylphenyl)-tris(4-methylphenyl)silane
PubChem CID140946146
Molecular FormulaC31H34Si
Molecular Weight434.70 g/mol
Exact Mass434.24
IUPAC Name(3-tert-butylphenyl)-tris(4-methylphenyl)silane
SMILESCc1ccc([Si](c2ccc(C)cc2)(c2ccc(C)cc2)c2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C31H34Si/c1-23-10-16-27(17-11-23)32(28-18-12-24(2)13-19-28,29-20-14-25(3)15-21-29)30-9-7-8-26(22-30)31(4,5)6/h7-22H,1-6H3
InChIKeyWNQQVQCABDAJSZ-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.70
LogP ≤ 55.29
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

[4-(4-methylphenyl)phenyl]-triphenylsilane
CID 123512514
(6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane
CID 174101281
alumane;1,3-ditert-butylbenzene
CID 174392215
3-tert-butyl-N-(4-methylphenyl)aniline
CID 166638036
bis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane
CID 58738500
trimethyl-[4-[4-[4-[[4-[4-(4-methylphenyl)phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]phenyl]silane
CID 158510434
magnesium;1,3-ditert-butylbenzene;dibromide
CID 174717429
5-N,18-N-bis(4-tert-butylphenyl)-10-methyl-5-N,18-N-diphenyl-23-triphenylsilylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-tridecaene-5,18-diamine
CID 143856183
1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane
CID 157135548
(3-tert-butylphenyl)azanium
CID 147404652
1-tert-butyl-4-methylbenzene
CID 163486601
1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene
CID 143454027

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylphenyl)-tris(4-methylphenyl)silane?
The IUPAC name of (3-tert-butylphenyl)-tris(4-methylphenyl)silane (CID 140946146) is (3-tert-butylphenyl)-tris(4-methylphenyl)silane.
What is the SMILES notation for (3-tert-butylphenyl)-tris(4-methylphenyl)silane?
The canonical SMILES for (3-tert-butylphenyl)-tris(4-methylphenyl)silane is Cc1ccc([Si](c2ccc(C)cc2)(c2ccc(C)cc2)c2cccc(C(C)(C)C)c2)cc1.
What is the InChIKey of (3-tert-butylphenyl)-tris(4-methylphenyl)silane?
The InChIKey is WNQQVQCABDAJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34Si/c1-23-10-16-27(17-11-23)32(28-18-12-24(2)13-19-28,29-20-14-25(3)15-21-29)30-9-7-8-26(22-30)31(4,5)6/h7-22H,1-6H3.
What are the key properties of (3-tert-butylphenyl)-tris(4-methylphenyl)silane?
(3-tert-butylphenyl)-tris(4-methylphenyl)silane has a molecular weight of 434.70 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylphenyl)-tris(4-methylphenyl)silane is sourced from PubChem (CID 140946146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).