1,1,2-trichloro-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane

C45H69Cl3Si3 — CID 102457322

IUPAC1,1,2-trichloro-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane
SMILESCC(C)c1cc(C(C)C)c([Si]2(Cl)[Si](Cl)(Cl)[Si]2(c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C45H69Cl3Si3/c1-25(2)34-19-37(28(7)8)43(38(20-34)29(9)10)49(44-39(30(11)12)21-35(26(3)4)22-40(44)31(13)14)50(46,51(49,47)48)45-41(32(15)16)23-36(27(5)6)24-42(45)33(17)18/h19-33H,1-18H3
InChIKeyHBQQXNWVOIOHPA-UHFFFAOYSA-N
MW800.66 g/mol
LogP13.62
Rot. Bonds12

About 1,1,2-trichloro-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane

1,1,2-trichloro-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane (PubChem CID 102457322) has the molecular formula C45H69Cl3Si3 and a molecular weight of 800.66 g/mol. Its IUPAC name is 1,1,2-trichloro-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane.

Molecular Properties

Compound Name1,1,2-trichloro-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane
PubChem CID102457322
Molecular FormulaC45H69Cl3Si3
Molecular Weight800.66 g/mol
Exact Mass798.38
IUPAC Name1,1,2-trichloro-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane
SMILESCC(C)c1cc(C(C)C)c([Si]2(Cl)[Si](Cl)(Cl)[Si]2(c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C45H69Cl3Si3/c1-25(2)34-19-37(28(7)8)43(38(20-34)29(9)10)49(44-39(30(11)12)21-35(26(3)4)22-40(44)31(13)14)50(46,51(49,47)48)45-41(32(15)16)23-36(27(5)6)24-42(45)33(17)18/h19-33H,1-18H3
InChIKeyHBQQXNWVOIOHPA-UHFFFAOYSA-N
XLogP13.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.66
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloro-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane?
The IUPAC name of 1,1,2-trichloro-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane (CID 102457322) is 1,1,2-trichloro-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane.
What is the SMILES notation for 1,1,2-trichloro-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane?
The canonical SMILES for 1,1,2-trichloro-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane is CC(C)c1cc(C(C)C)c([Si]2(Cl)[Si](Cl)(Cl)[Si]2(c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.
What is the InChIKey of 1,1,2-trichloro-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane?
The InChIKey is HBQQXNWVOIOHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H69Cl3Si3/c1-25(2)34-19-37(28(7)8)43(38(20-34)29(9)10)49(44-39(30(11)12)21-35(26(3)4)22-40(44)31(13)14)50(46,51(49,47)48)45-41(32(15)16)23-36(27(5)6)24-42(45)33(17)18/h19-33H,1-18H3.
What are the key properties of 1,1,2-trichloro-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane?
1,1,2-trichloro-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane has a molecular weight of 800.66 g/mol, XLogP of 13.62, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloro-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane is sourced from PubChem (CID 102457322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).