chloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane

C60H75ClSi — CID 88962392

IUPACchloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane
SMILESCC(C)(C)c1cc(-c2cccc([Si](Cl)(c3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c3)c3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c3)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C60H75ClSi/c1-55(2,3)46-28-43(29-47(37-46)56(4,5)6)40-22-19-25-52(34-40)62(61,53-26-20-23-41(35-53)44-30-48(57(7,8)9)38-49(31-44)58(10,11)12)54-27-21-24-42(36-54)45-32-50(59(13,14)15)39-51(33-45)60(16,17)18/h19-39H,1-18H3
InChIKeyBGLKVTIGWSLFDI-UHFFFAOYSA-N
MW859.80 g/mol
LogP15.68
Rot. Bonds6

About chloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane

chloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane (PubChem CID 88962392) has the molecular formula C60H75ClSi and a molecular weight of 859.80 g/mol. Its IUPAC name is chloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane.

Molecular Properties

Compound Namechloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane
PubChem CID88962392
Molecular FormulaC60H75ClSi
Molecular Weight859.80 g/mol
Exact Mass858.53
IUPAC Namechloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane
SMILESCC(C)(C)c1cc(-c2cccc([Si](Cl)(c3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c3)c3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c3)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C60H75ClSi/c1-55(2,3)46-28-43(29-47(37-46)56(4,5)6)40-22-19-25-52(34-40)62(61,53-26-20-23-41(35-53)44-30-48(57(7,8)9)38-49(31-44)58(10,11)12)54-27-21-24-42(36-54)45-32-50(59(13,14)15)39-51(33-45)60(16,17)18/h19-39H,1-18H3
InChIKeyBGLKVTIGWSLFDI-UHFFFAOYSA-N
XLogP15.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.80
LogP ≤ 515.68
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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Related Compounds

2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine
CID 157308201
2,6-bis(3,5-ditert-butylphenyl)-4-[3-(3,5-ditert-butylphenyl)phenyl]pyridine
CID 158776807
1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
CID 159548907
2-[3-chloro-5-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160958371
2,6-bis(3,5-ditert-butylphenyl)pyridine
CID 102450802
1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene
CID 168802983
4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]-6-phenylaniline
CID 171730460
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene
CID 153279790
dichloro-phenyl-(3-phenylphenyl)silane
CID 169003244
1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene
CID 176589286
2-[3-[4,6-bis[3-(3,5-ditert-butylphenyl)phenyl]-2-pyridinyl]phenyl]pyrazine
CID 164834142

Frequently Asked Questions

What is the IUPAC name of chloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane?
The IUPAC name of chloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane (CID 88962392) is chloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane.
What is the SMILES notation for chloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane?
The canonical SMILES for chloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane is CC(C)(C)c1cc(-c2cccc([Si](Cl)(c3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c3)c3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c3)c2)cc(C(C)(C)C)c1.
What is the InChIKey of chloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane?
The InChIKey is BGLKVTIGWSLFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H75ClSi/c1-55(2,3)46-28-43(29-47(37-46)56(4,5)6)40-22-19-25-52(34-40)62(61,53-26-20-23-41(35-53)44-30-48(57(7,8)9)38-49(31-44)58(10,11)12)54-27-21-24-42(36-54)45-32-50(59(13,14)15)39-51(33-45)60(16,17)18/h19-39H,1-18H3.
What are the key properties of chloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane?
chloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane has a molecular weight of 859.80 g/mol, XLogP of 15.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane is sourced from PubChem (CID 88962392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).