1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disilirane

C37H46Si2 — CID 11082156

IUPAC1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disilirane
SMILESCc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)C[Si]2(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C37H46Si2/c1-22-13-26(5)34(27(6)14-22)38(35-28(7)15-23(2)16-29(35)8)21-39(38,36-30(9)17-24(3)18-31(36)10)37-32(11)19-25(4)20-33(37)12/h13-20H,21H2,1-12H3
InChIKeyPQXGMDOGBDKESX-UHFFFAOYSA-N
MW546.95 g/mol
LogP6.85
Rot. Bonds4

About 1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disilirane

1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disilirane (PubChem CID 11082156) has the molecular formula C37H46Si2 and a molecular weight of 546.95 g/mol. Its IUPAC name is 1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disilirane.

Molecular Properties

Compound Name1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disilirane
PubChem CID11082156
Molecular FormulaC37H46Si2
Molecular Weight546.95 g/mol
Exact Mass546.31
IUPAC Name1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disilirane
SMILESCc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)C[Si]2(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C37H46Si2/c1-22-13-26(5)34(27(6)14-22)38(35-28(7)15-23(2)16-29(35)8)21-39(38,36-30(9)17-24(3)18-31(36)10)37-32(11)19-25(4)20-33(37)12/h13-20H,21H2,1-12H3
InChIKeyPQXGMDOGBDKESX-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.95
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disilirane?
The IUPAC name of 1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disilirane (CID 11082156) is 1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disilirane.
What is the SMILES notation for 1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disilirane?
The canonical SMILES for 1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disilirane is Cc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)C[Si]2(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disilirane?
The InChIKey is PQXGMDOGBDKESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46Si2/c1-22-13-26(5)34(27(6)14-22)38(35-28(7)15-23(2)16-29(35)8)21-39(38,36-30(9)17-24(3)18-31(36)10)37-32(11)19-25(4)20-33(37)12/h13-20H,21H2,1-12H3.
What are the key properties of 1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disilirane?
1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disilirane has a molecular weight of 546.95 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrakis(2,4,6-trimethylphenyl)disilirane is sourced from PubChem (CID 11082156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).