chloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane

C51H57ClSi — CID 88962612

IUPACchloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane
SMILESCc1c(C)c(C)c(-c2ccc([Si](Cl)(c3ccc(-c4c(C)c(C)c(C)c(C)c4C)cc3)c3ccc(-c4c(C)c(C)c(C)c(C)c4C)cc3)cc2)c(C)c1C
InChIInChI=1S/C51H57ClSi/c1-28-31(4)37(10)49(38(11)32(28)5)43-16-22-46(23-17-43)53(52,47-24-18-44(19-25-47)50-39(12)33(6)29(2)34(7)40(50)13)48-26-20-45(21-27-48)51-41(14)35(8)30(3)36(9)42(51)15/h16-27H,1-15H3
InChIKeyNRMCFZLDFSJRND-UHFFFAOYSA-N
MW733.56 g/mol
LogP12.52
Rot. Bonds6

About chloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane

chloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane (PubChem CID 88962612) has the molecular formula C51H57ClSi and a molecular weight of 733.56 g/mol. Its IUPAC name is chloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane.

Molecular Properties

Compound Namechloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane
PubChem CID88962612
Molecular FormulaC51H57ClSi
Molecular Weight733.56 g/mol
Exact Mass732.39
IUPAC Namechloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane
SMILESCc1c(C)c(C)c(-c2ccc([Si](Cl)(c3ccc(-c4c(C)c(C)c(C)c(C)c4C)cc3)c3ccc(-c4c(C)c(C)c(C)c(C)c4C)cc3)cc2)c(C)c1C
InChIInChI=1S/C51H57ClSi/c1-28-31(4)37(10)49(38(11)32(28)5)43-16-22-46(23-17-43)53(52,47-24-18-44(19-25-47)50-39(12)33(6)29(2)34(7)40(50)13)48-26-20-45(21-27-48)51-41(14)35(8)30(3)36(9)42(51)15/h16-27H,1-15H3
InChIKeyNRMCFZLDFSJRND-UHFFFAOYSA-N
XLogP12.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.56
LogP ≤ 512.52
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane?
The IUPAC name of chloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane (CID 88962612) is chloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane.
What is the SMILES notation for chloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane?
The canonical SMILES for chloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane is Cc1c(C)c(C)c(-c2ccc([Si](Cl)(c3ccc(-c4c(C)c(C)c(C)c(C)c4C)cc3)c3ccc(-c4c(C)c(C)c(C)c(C)c4C)cc3)cc2)c(C)c1C.
What is the InChIKey of chloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane?
The InChIKey is NRMCFZLDFSJRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H57ClSi/c1-28-31(4)37(10)49(38(11)32(28)5)43-16-22-46(23-17-43)53(52,47-24-18-44(19-25-47)50-39(12)33(6)29(2)34(7)40(50)13)48-26-20-45(21-27-48)51-41(14)35(8)30(3)36(9)42(51)15/h16-27H,1-15H3.
What are the key properties of chloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane?
chloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane has a molecular weight of 733.56 g/mol, XLogP of 12.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane is sourced from PubChem (CID 88962612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).