1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane

C72H88Si4 — CID 71427220

IUPAC1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane
SMILESCc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)[Si](c3c(C)cc(C)cc3C)(c3c(C)cc(C)cc3C)[Si](c3c(C)cc(C)cc3C)(c3c(C)cc(C)cc3C)[Si]2(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C72H88Si4/c1-41-25-49(9)65(50(10)26-41)73(66-51(11)27-42(2)28-52(66)12)74(67-53(13)29-43(3)30-54(67)14,68-55(15)31-44(4)32-56(68)16)76(71-61(21)37-47(7)38-62(71)22,72-63(23)39-48(8)40-64(72)24)75(73,69-57(17)33-45(5)34-58(69)18)70-59(19)35-46(6)36-60(70)20/h25-40H,1-24H3
InChIKeyZVFLVIQWPHFMFO-UHFFFAOYSA-N
MW1065.84 g/mol
LogP12.77
Rot. Bonds8

About 1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane

1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane (PubChem CID 71427220) has the molecular formula C72H88Si4 and a molecular weight of 1065.84 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane
PubChem CID71427220
Molecular FormulaC72H88Si4
Molecular Weight1065.84 g/mol
Exact Mass1064.60
IUPAC Name1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane
SMILESCc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)[Si](c3c(C)cc(C)cc3C)(c3c(C)cc(C)cc3C)[Si](c3c(C)cc(C)cc3C)(c3c(C)cc(C)cc3C)[Si]2(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C72H88Si4/c1-41-25-49(9)65(50(10)26-41)73(66-51(11)27-42(2)28-52(66)12)74(67-53(13)29-43(3)30-54(67)14,68-55(15)31-44(4)32-56(68)16)76(71-61(21)37-47(7)38-62(71)22,72-63(23)39-48(8)40-64(72)24)75(73,69-57(17)33-45(5)34-58(69)18)70-59(19)35-46(6)36-60(70)20/h25-40H,1-24H3
InChIKeyZVFLVIQWPHFMFO-UHFFFAOYSA-N
XLogP12.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.84
LogP ≤ 512.77
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 1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane?
The IUPAC name of 1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane (CID 71427220) is 1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane is Cc1cc(C)c([Si]2(c3c(C)cc(C)cc3C)[Si](c3c(C)cc(C)cc3C)(c3c(C)cc(C)cc3C)[Si](c3c(C)cc(C)cc3C)(c3c(C)cc(C)cc3C)[Si]2(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane?
The InChIKey is ZVFLVIQWPHFMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H88Si4/c1-41-25-49(9)65(50(10)26-41)73(66-51(11)27-42(2)28-52(66)12)74(67-53(13)29-43(3)30-54(67)14,68-55(15)31-44(4)32-56(68)16)76(71-61(21)37-47(7)38-62(71)22,72-63(23)39-48(8)40-64(72)24)75(73,69-57(17)33-45(5)34-58(69)18)70-59(19)35-46(6)36-60(70)20/h25-40H,1-24H3.
What are the key properties of 1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane?
1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane has a molecular weight of 1065.84 g/mol, XLogP of 12.77, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane is sourced from PubChem (CID 71427220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).