1,1,2,2,3,3-hexakis(2,6-dimethylphenyl)trisilirane

C48H54Si3 — CID 5255382

IUPAC1,1,2,2,3,3-hexakis(2,6-dimethylphenyl)trisilirane
SMILESCc1cccc(C)c1[Si]1(c2c(C)cccc2C)[Si](c2c(C)cccc2C)(c2c(C)cccc2C)[Si]1(c1c(C)cccc1C)c1c(C)cccc1C
InChIInChI=1S/C48H54Si3/c1-31-19-13-20-32(2)43(31)49(44-33(3)21-14-22-34(44)4)50(45-35(5)23-15-24-36(45)6,46-37(7)25-16-26-38(46)8)51(49,47-39(9)27-17-28-40(47)10)48-41(11)29-18-30-42(48)12/h13-30H,1-12H3
InChIKeyWHKHATOPODMLLF-UHFFFAOYSA-N
MW715.22 g/mol
LogP7.73
Rot. Bonds6

About 1,1,2,2,3,3-hexakis(2,6-dimethylphenyl)trisilirane

1,1,2,2,3,3-hexakis(2,6-dimethylphenyl)trisilirane (PubChem CID 5255382) has the molecular formula C48H54Si3 and a molecular weight of 715.22 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexakis(2,6-dimethylphenyl)trisilirane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexakis(2,6-dimethylphenyl)trisilirane
PubChem CID5255382
Molecular FormulaC48H54Si3
Molecular Weight715.22 g/mol
Exact Mass714.35
IUPAC Name1,1,2,2,3,3-hexakis(2,6-dimethylphenyl)trisilirane
SMILESCc1cccc(C)c1[Si]1(c2c(C)cccc2C)[Si](c2c(C)cccc2C)(c2c(C)cccc2C)[Si]1(c1c(C)cccc1C)c1c(C)cccc1C
InChIInChI=1S/C48H54Si3/c1-31-19-13-20-32(2)43(31)49(44-33(3)21-14-22-34(44)4)50(45-35(5)23-15-24-36(45)6,46-37(7)25-16-26-38(46)8)51(49,47-39(9)27-17-28-40(47)10)48-41(11)29-18-30-42(48)12/h13-30H,1-12H3
InChIKeyWHKHATOPODMLLF-UHFFFAOYSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.22
LogP ≤ 57.73
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 1,1,2,2,3,3-hexakis(2,6-dimethylphenyl)trisilirane?
The IUPAC name of 1,1,2,2,3,3-hexakis(2,6-dimethylphenyl)trisilirane (CID 5255382) is 1,1,2,2,3,3-hexakis(2,6-dimethylphenyl)trisilirane.
What is the SMILES notation for 1,1,2,2,3,3-hexakis(2,6-dimethylphenyl)trisilirane?
The canonical SMILES for 1,1,2,2,3,3-hexakis(2,6-dimethylphenyl)trisilirane is Cc1cccc(C)c1[Si]1(c2c(C)cccc2C)[Si](c2c(C)cccc2C)(c2c(C)cccc2C)[Si]1(c1c(C)cccc1C)c1c(C)cccc1C.
What is the InChIKey of 1,1,2,2,3,3-hexakis(2,6-dimethylphenyl)trisilirane?
The InChIKey is WHKHATOPODMLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H54Si3/c1-31-19-13-20-32(2)43(31)49(44-33(3)21-14-22-34(44)4)50(45-35(5)23-15-24-36(45)6,46-37(7)25-16-26-38(46)8)51(49,47-39(9)27-17-28-40(47)10)48-41(11)29-18-30-42(48)12/h13-30H,1-12H3.
What are the key properties of 1,1,2,2,3,3-hexakis(2,6-dimethylphenyl)trisilirane?
1,1,2,2,3,3-hexakis(2,6-dimethylphenyl)trisilirane has a molecular weight of 715.22 g/mol, XLogP of 7.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexakis(2,6-dimethylphenyl)trisilirane is sourced from PubChem (CID 5255382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).