chloro-tris(6-methyl-2,3,4-triphenylphenyl)silane

C75H57ClSi — CID 88962348

IUPACchloro-tris(6-methyl-2,3,4-triphenylphenyl)silane
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1[Si](Cl)(c1c(C)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)c1c(C)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C75H57ClSi/c1-52-49-64(55-31-13-4-14-32-55)67(58-37-19-7-20-38-58)70(61-43-25-10-26-44-61)73(52)77(76,74-53(2)50-65(56-33-15-5-16-34-56)68(59-39-21-8-22-40-59)71(74)62-45-27-11-28-46-62)75-54(3)51-66(57-35-17-6-18-36-57)69(60-41-23-9-24-42-60)72(75)63-47-29-12-30-48-63/h4-51H,1-3H3
InChIKeyHBBUELWCFYRANK-UHFFFAOYSA-N
MW1021.82 g/mol
LogP18.82
Rot. Bonds12

About chloro-tris(6-methyl-2,3,4-triphenylphenyl)silane

chloro-tris(6-methyl-2,3,4-triphenylphenyl)silane (PubChem CID 88962348) has the molecular formula C75H57ClSi and a molecular weight of 1021.82 g/mol. Its IUPAC name is chloro-tris(6-methyl-2,3,4-triphenylphenyl)silane.

Molecular Properties

Compound Namechloro-tris(6-methyl-2,3,4-triphenylphenyl)silane
PubChem CID88962348
Molecular FormulaC75H57ClSi
Molecular Weight1021.82 g/mol
Exact Mass1020.39
IUPAC Namechloro-tris(6-methyl-2,3,4-triphenylphenyl)silane
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1[Si](Cl)(c1c(C)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)c1c(C)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C75H57ClSi/c1-52-49-64(55-31-13-4-14-32-55)67(58-37-19-7-20-38-58)70(61-43-25-10-26-44-61)73(52)77(76,74-53(2)50-65(56-33-15-5-16-34-56)68(59-39-21-8-22-40-59)71(74)62-45-27-11-28-46-62)75-54(3)51-66(57-35-17-6-18-36-57)69(60-41-23-9-24-42-60)72(75)63-47-29-12-30-48-63/h4-51H,1-3H3
InChIKeyHBBUELWCFYRANK-UHFFFAOYSA-N
XLogP18.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.82
LogP ≤ 518.82
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(6-methyl-2,3,4-triphenylphenyl)silane?
The IUPAC name of chloro-tris(6-methyl-2,3,4-triphenylphenyl)silane (CID 88962348) is chloro-tris(6-methyl-2,3,4-triphenylphenyl)silane.
What is the SMILES notation for chloro-tris(6-methyl-2,3,4-triphenylphenyl)silane?
The canonical SMILES for chloro-tris(6-methyl-2,3,4-triphenylphenyl)silane is Cc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1[Si](Cl)(c1c(C)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)c1c(C)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of chloro-tris(6-methyl-2,3,4-triphenylphenyl)silane?
The InChIKey is HBBUELWCFYRANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H57ClSi/c1-52-49-64(55-31-13-4-14-32-55)67(58-37-19-7-20-38-58)70(61-43-25-10-26-44-61)73(52)77(76,74-53(2)50-65(56-33-15-5-16-34-56)68(59-39-21-8-22-40-59)71(74)62-45-27-11-28-46-62)75-54(3)51-66(57-35-17-6-18-36-57)69(60-41-23-9-24-42-60)72(75)63-47-29-12-30-48-63/h4-51H,1-3H3.
What are the key properties of chloro-tris(6-methyl-2,3,4-triphenylphenyl)silane?
chloro-tris(6-methyl-2,3,4-triphenylphenyl)silane has a molecular weight of 1021.82 g/mol, XLogP of 18.82, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris(6-methyl-2,3,4-triphenylphenyl)silane is sourced from PubChem (CID 88962348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).