2,3,4,5-tetrakis(3-methylphenyl)-1,1-diphenylsilole

C44H38Si — CID 54298008

IUPAC2,3,4,5-tetrakis(3-methylphenyl)-1,1-diphenylsilole
SMILESCc1cccc(C2=C(c3cccc(C)c3)[Si](c3ccccc3)(c3ccccc3)C(c3cccc(C)c3)=C2c2cccc(C)c2)c1
InChIInChI=1S/C44H38Si/c1-31-15-11-19-35(27-31)41-42(36-20-12-16-32(2)28-36)44(38-22-14-18-34(4)30-38)45(39-23-7-5-8-24-39,40-25-9-6-10-26-40)43(41)37-21-13-17-33(3)29-37/h5-30H,1-4H3
InChIKeySCDMKXNJVAUNRT-UHFFFAOYSA-N
MW594.87 g/mol
LogP9.80
Rot. Bonds6

About 2,3,4,5-tetrakis(3-methylphenyl)-1,1-diphenylsilole

2,3,4,5-tetrakis(3-methylphenyl)-1,1-diphenylsilole (PubChem CID 54298008) has the molecular formula C44H38Si and a molecular weight of 594.87 g/mol. Its IUPAC name is 2,3,4,5-tetrakis(3-methylphenyl)-1,1-diphenylsilole.

Molecular Properties

Compound Name2,3,4,5-tetrakis(3-methylphenyl)-1,1-diphenylsilole
PubChem CID54298008
Molecular FormulaC44H38Si
Molecular Weight594.87 g/mol
Exact Mass594.27
IUPAC Name2,3,4,5-tetrakis(3-methylphenyl)-1,1-diphenylsilole
SMILESCc1cccc(C2=C(c3cccc(C)c3)[Si](c3ccccc3)(c3ccccc3)C(c3cccc(C)c3)=C2c2cccc(C)c2)c1
InChIInChI=1S/C44H38Si/c1-31-15-11-19-35(27-31)41-42(36-20-12-16-32(2)28-36)44(38-22-14-18-34(4)30-38)45(39-23-7-5-8-24-39,40-25-9-6-10-26-40)43(41)37-21-13-17-33(3)29-37/h5-30H,1-4H3
InChIKeySCDMKXNJVAUNRT-UHFFFAOYSA-N
XLogP9.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.87
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrakis(3-methylphenyl)-1,1-diphenylsilole?
The IUPAC name of 2,3,4,5-tetrakis(3-methylphenyl)-1,1-diphenylsilole (CID 54298008) is 2,3,4,5-tetrakis(3-methylphenyl)-1,1-diphenylsilole.
What is the SMILES notation for 2,3,4,5-tetrakis(3-methylphenyl)-1,1-diphenylsilole?
The canonical SMILES for 2,3,4,5-tetrakis(3-methylphenyl)-1,1-diphenylsilole is Cc1cccc(C2=C(c3cccc(C)c3)[Si](c3ccccc3)(c3ccccc3)C(c3cccc(C)c3)=C2c2cccc(C)c2)c1.
What is the InChIKey of 2,3,4,5-tetrakis(3-methylphenyl)-1,1-diphenylsilole?
The InChIKey is SCDMKXNJVAUNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38Si/c1-31-15-11-19-35(27-31)41-42(36-20-12-16-32(2)28-36)44(38-22-14-18-34(4)30-38)45(39-23-7-5-8-24-39,40-25-9-6-10-26-40)43(41)37-21-13-17-33(3)29-37/h5-30H,1-4H3.
What are the key properties of 2,3,4,5-tetrakis(3-methylphenyl)-1,1-diphenylsilole?
2,3,4,5-tetrakis(3-methylphenyl)-1,1-diphenylsilole has a molecular weight of 594.87 g/mol, XLogP of 9.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis(3-methylphenyl)-1,1-diphenylsilole is sourced from PubChem (CID 54298008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).