chloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane

C60H51ClSi — CID 88962669

IUPACchloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane
SMILESCc1cc([Si](Cl)(c2cc(C)c(C)c(-c3ccccc3)c2-c2ccccc2)c2cc(C)c(C)c(-c3ccccc3)c2-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1C
InChIInChI=1S/C60H51ClSi/c1-40-37-52(58(49-31-19-10-20-32-49)55(43(40)4)46-25-13-7-14-26-46)62(61,53-38-41(2)44(5)56(47-27-15-8-16-28-47)59(53)50-33-21-11-22-34-50)54-39-42(3)45(6)57(48-29-17-9-18-30-48)60(54)51-35-23-12-24-36-51/h7-39H,1-6H3
InChIKeyKMQYWJNZMLCUDB-UHFFFAOYSA-N
MW835.61 g/mol
LogP14.74
Rot. Bonds9

About chloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane

chloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane (PubChem CID 88962669) has the molecular formula C60H51ClSi and a molecular weight of 835.61 g/mol. Its IUPAC name is chloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane.

Molecular Properties

Compound Namechloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane
PubChem CID88962669
Molecular FormulaC60H51ClSi
Molecular Weight835.61 g/mol
Exact Mass834.34
IUPAC Namechloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane
SMILESCc1cc([Si](Cl)(c2cc(C)c(C)c(-c3ccccc3)c2-c2ccccc2)c2cc(C)c(C)c(-c3ccccc3)c2-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1C
InChIInChI=1S/C60H51ClSi/c1-40-37-52(58(49-31-19-10-20-32-49)55(43(40)4)46-25-13-7-14-26-46)62(61,53-38-41(2)44(5)56(47-27-15-8-16-28-47)59(53)50-33-21-11-22-34-50)54-39-42(3)45(6)57(48-29-17-9-18-30-48)60(54)51-35-23-12-24-36-51/h7-39H,1-6H3
InChIKeyKMQYWJNZMLCUDB-UHFFFAOYSA-N
XLogP14.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.61
LogP ≤ 514.74
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(4,5-dimethyl-2,3-diphenylphenyl)silane?
The IUPAC name of chloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane (CID 88962669) is chloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane.
What is the SMILES notation for chloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane?
The canonical SMILES for chloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane is Cc1cc([Si](Cl)(c2cc(C)c(C)c(-c3ccccc3)c2-c2ccccc2)c2cc(C)c(C)c(-c3ccccc3)c2-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1C.
What is the InChIKey of chloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane?
The InChIKey is KMQYWJNZMLCUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H51ClSi/c1-40-37-52(58(49-31-19-10-20-32-49)55(43(40)4)46-25-13-7-14-26-46)62(61,53-38-41(2)44(5)56(47-27-15-8-16-28-47)59(53)50-33-21-11-22-34-50)54-39-42(3)45(6)57(48-29-17-9-18-30-48)60(54)51-35-23-12-24-36-51/h7-39H,1-6H3.
What are the key properties of chloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane?
chloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane has a molecular weight of 835.61 g/mol, XLogP of 14.74, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane is sourced from PubChem (CID 88962669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).