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

C57H79ClSi3 — CID 24851166

IUPAC1-chloro-2,2-diphenyl-1,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane
SMILESCC(C)c1cc(C(C)C)c([Si]2(Cl)[Si](c3ccccc3)(c3ccccc3)[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/C57H79ClSi3/c1-35(2)44-29-49(38(7)8)55(50(30-44)39(9)10)60(56-51(40(11)12)31-45(36(3)4)32-52(56)41(13)14)59(47-25-21-19-22-26-47,48-27-23-20-24-28-48)61(60,58)57-53(42(15)16)33-46(37(5)6)34-54(57)43(17)18/h19-43H,1-18H3
InChIKeyJXAJZJYNWJLSJY-UHFFFAOYSA-N
MW883.97 g/mol
LogP13.96
Rot. Bonds14

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

1-chloro-2,2-diphenyl-1,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane (PubChem CID 24851166) has the molecular formula C57H79ClSi3 and a molecular weight of 883.97 g/mol. Its IUPAC name is 1-chloro-2,2-diphenyl-1,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane.

Molecular Properties

Compound Name1-chloro-2,2-diphenyl-1,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane
PubChem CID24851166
Molecular FormulaC57H79ClSi3
Molecular Weight883.97 g/mol
Exact Mass882.52
IUPAC Name1-chloro-2,2-diphenyl-1,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane
SMILESCC(C)c1cc(C(C)C)c([Si]2(Cl)[Si](c3ccccc3)(c3ccccc3)[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/C57H79ClSi3/c1-35(2)44-29-49(38(7)8)55(50(30-44)39(9)10)60(56-51(40(11)12)31-45(36(3)4)32-52(56)41(13)14)59(47-25-21-19-22-26-47,48-27-23-20-24-28-48)61(60,58)57-53(42(15)16)33-46(37(5)6)34-54(57)43(17)18/h19-43H,1-18H3
InChIKeyJXAJZJYNWJLSJY-UHFFFAOYSA-N
XLogP13.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.97
LogP ≤ 513.96
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-chloro-2,2-diphenyl-1,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane?
The IUPAC name of 1-chloro-2,2-diphenyl-1,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane (CID 24851166) is 1-chloro-2,2-diphenyl-1,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane.
What is the SMILES notation for 1-chloro-2,2-diphenyl-1,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane?
The canonical SMILES for 1-chloro-2,2-diphenyl-1,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane is CC(C)c1cc(C(C)C)c([Si]2(Cl)[Si](c3ccccc3)(c3ccccc3)[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-chloro-2,2-diphenyl-1,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane?
The InChIKey is JXAJZJYNWJLSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H79ClSi3/c1-35(2)44-29-49(38(7)8)55(50(30-44)39(9)10)60(56-51(40(11)12)31-45(36(3)4)32-52(56)41(13)14)59(47-25-21-19-22-26-47,48-27-23-20-24-28-48)61(60,58)57-53(42(15)16)33-46(37(5)6)34-54(57)43(17)18/h19-43H,1-18H3.
What are the key properties of 1-chloro-2,2-diphenyl-1,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane?
1-chloro-2,2-diphenyl-1,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane has a molecular weight of 883.97 g/mol, XLogP of 13.96, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,2-diphenyl-1,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]trisilirane is sourced from PubChem (CID 24851166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).