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

C60H78Si3 — CID 14040801

IUPAC1,1,2,2,3,3-hexakis(2,6-diethylphenyl)trisilirane
SMILESCCc1cccc(CC)c1[Si]1(c2c(CC)cccc2CC)[Si](c2c(CC)cccc2CC)(c2c(CC)cccc2CC)[Si]1(c1c(CC)cccc1CC)c1c(CC)cccc1CC
InChIInChI=1S/C60H78Si3/c1-13-43-31-25-32-44(14-2)55(43)61(56-45(15-3)33-26-34-46(56)16-4)62(57-47(17-5)35-27-36-48(57)18-6,58-49(19-7)37-28-38-50(58)20-8)63(61,59-51(21-9)39-29-40-52(59)22-10)60-53(23-11)41-30-42-54(60)24-12/h25-42H,13-24H2,1-12H3
InChIKeyBCIFZFRTVYKUNL-UHFFFAOYSA-N
MW883.54 g/mol
LogP10.77
Rot. Bonds18

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

1,1,2,2,3,3-hexakis(2,6-diethylphenyl)trisilirane (PubChem CID 14040801) has the molecular formula C60H78Si3 and a molecular weight of 883.54 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexakis(2,6-diethylphenyl)trisilirane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexakis(2,6-diethylphenyl)trisilirane
PubChem CID14040801
Molecular FormulaC60H78Si3
Molecular Weight883.54 g/mol
Exact Mass882.54
IUPAC Name1,1,2,2,3,3-hexakis(2,6-diethylphenyl)trisilirane
SMILESCCc1cccc(CC)c1[Si]1(c2c(CC)cccc2CC)[Si](c2c(CC)cccc2CC)(c2c(CC)cccc2CC)[Si]1(c1c(CC)cccc1CC)c1c(CC)cccc1CC
InChIInChI=1S/C60H78Si3/c1-13-43-31-25-32-44(14-2)55(43)61(56-45(15-3)33-26-34-46(56)16-4)62(57-47(17-5)35-27-36-48(57)18-6,58-49(19-7)37-28-38-50(58)20-8)63(61,59-51(21-9)39-29-40-52(59)22-10)60-53(23-11)41-30-42-54(60)24-12/h25-42H,13-24H2,1-12H3
InChIKeyBCIFZFRTVYKUNL-UHFFFAOYSA-N
XLogP10.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.54
LogP ≤ 510.77
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-diethylphenyl)trisilirane?
The IUPAC name of 1,1,2,2,3,3-hexakis(2,6-diethylphenyl)trisilirane (CID 14040801) is 1,1,2,2,3,3-hexakis(2,6-diethylphenyl)trisilirane.
What is the SMILES notation for 1,1,2,2,3,3-hexakis(2,6-diethylphenyl)trisilirane?
The canonical SMILES for 1,1,2,2,3,3-hexakis(2,6-diethylphenyl)trisilirane is CCc1cccc(CC)c1[Si]1(c2c(CC)cccc2CC)[Si](c2c(CC)cccc2CC)(c2c(CC)cccc2CC)[Si]1(c1c(CC)cccc1CC)c1c(CC)cccc1CC.
What is the InChIKey of 1,1,2,2,3,3-hexakis(2,6-diethylphenyl)trisilirane?
The InChIKey is BCIFZFRTVYKUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H78Si3/c1-13-43-31-25-32-44(14-2)55(43)61(56-45(15-3)33-26-34-46(56)16-4)62(57-47(17-5)35-27-36-48(57)18-6,58-49(19-7)37-28-38-50(58)20-8)63(61,59-51(21-9)39-29-40-52(59)22-10)60-53(23-11)41-30-42-54(60)24-12/h25-42H,13-24H2,1-12H3.
What are the key properties of 1,1,2,2,3,3-hexakis(2,6-diethylphenyl)trisilirane?
1,1,2,2,3,3-hexakis(2,6-diethylphenyl)trisilirane has a molecular weight of 883.54 g/mol, XLogP of 10.77, 18 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-diethylphenyl)trisilirane is sourced from PubChem (CID 14040801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).