tris(2-methylphenyl)-phenylsilane

C27H26Si — CID 4062260

IUPACtris(2-methylphenyl)-phenylsilane
SMILESCc1ccccc1[Si](c1ccccc1)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C27H26Si/c1-21-13-7-10-18-25(21)28(24-16-5-4-6-17-24,26-19-11-8-14-22(26)2)27-20-12-9-15-23(27)3/h4-20H,1-3H3
InChIKeyPVBVCUIQNOEWTD-UHFFFAOYSA-N
MW378.59 g/mol
LogP3.99
Rot. Bonds4

About tris(2-methylphenyl)-phenylsilane

tris(2-methylphenyl)-phenylsilane (PubChem CID 4062260) has the molecular formula C27H26Si and a molecular weight of 378.59 g/mol. Its IUPAC name is tris(2-methylphenyl)-phenylsilane.

Molecular Properties

Compound Nametris(2-methylphenyl)-phenylsilane
PubChem CID4062260
Molecular FormulaC27H26Si
Molecular Weight378.59 g/mol
Exact Mass378.18
IUPAC Nametris(2-methylphenyl)-phenylsilane
SMILESCc1ccccc1[Si](c1ccccc1)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C27H26Si/c1-21-13-7-10-18-25(21)28(24-16-5-4-6-17-24,26-19-11-8-14-22(26)2)27-20-12-9-15-23(27)3/h4-20H,1-3H3
InChIKeyPVBVCUIQNOEWTD-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 53.99
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

Benzyltriphenylphosphonium chloride
CID 70671
Triphenylethylene
CID 6025
Phosphine, tris(4-methylphenyl)-
CID 13956
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
Tris(4-methylphenyl)stibine
CID 79371
Stibene, tri-o-tolyl-
CID 301718
Tribenzyltin chloride
CID 18470
Tri-o-tolylphosphine
CID 80271
Phosphonium, ((4-methylphenyl)methyl)triphenyl-, chloride (1:1)
CID 150925
Phosphonium, ((4-methylphenyl)methyl)triphenyl-, bromide (1:1)
CID 11797662
p-Quaterphenyl
CID 8677
Quaterphenyl
CID 14422

Frequently Asked Questions

What is the IUPAC name of tris(2-methylphenyl)-phenylsilane?
The IUPAC name of tris(2-methylphenyl)-phenylsilane (CID 4062260) is tris(2-methylphenyl)-phenylsilane.
What is the SMILES notation for tris(2-methylphenyl)-phenylsilane?
The canonical SMILES for tris(2-methylphenyl)-phenylsilane is Cc1ccccc1[Si](c1ccccc1)(c1ccccc1C)c1ccccc1C.
What is the InChIKey of tris(2-methylphenyl)-phenylsilane?
The InChIKey is PVBVCUIQNOEWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Si/c1-21-13-7-10-18-25(21)28(24-16-5-4-6-17-24,26-19-11-8-14-22(26)2)27-20-12-9-15-23(27)3/h4-20H,1-3H3.
What are the key properties of tris(2-methylphenyl)-phenylsilane?
tris(2-methylphenyl)-phenylsilane has a molecular weight of 378.59 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylphenyl)-phenylsilane is sourced from PubChem (CID 4062260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).