triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane

C59H44N2Si — CID 176640932

IUPACtriphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane
SMILESc1ccc(-c2nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C59H44N2Si/c1-8-24-45(25-9-1)58-60-56(46-26-22-34-51(42-46)59(48-28-10-2-11-29-48,49-30-12-3-13-31-49)50-32-14-4-15-33-50)44-57(61-58)47-27-23-41-55(43-47)62(52-35-16-5-17-36-52,53-37-18-6-19-38-53)54-39-20-7-21-40-54/h1-44H
InChIKeyPEIQYMKVCSUCIZ-UHFFFAOYSA-N
MW809.10 g/mol
LogP11.24
Rot. Bonds11

About triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane

triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane (PubChem CID 176640932) has the molecular formula C59H44N2Si and a molecular weight of 809.10 g/mol. Its IUPAC name is triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane.

Molecular Properties

Compound Nametriphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane
PubChem CID176640932
Molecular FormulaC59H44N2Si
Molecular Weight809.10 g/mol
Exact Mass808.33
IUPAC Nametriphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane
SMILESc1ccc(-c2nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C59H44N2Si/c1-8-24-45(25-9-1)58-60-56(46-26-22-34-51(42-46)59(48-28-10-2-11-29-48,49-30-12-3-13-31-49)50-32-14-4-15-33-50)44-57(61-58)47-27-23-41-55(43-47)62(52-35-16-5-17-36-52,53-37-18-6-19-38-53)54-39-20-7-21-40-54/h1-44H
InChIKeyPEIQYMKVCSUCIZ-UHFFFAOYSA-N
XLogP11.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.10
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane?
The IUPAC name of triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane (CID 176640932) is triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane.
What is the SMILES notation for triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane?
The canonical SMILES for triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane is c1ccc(-c2nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.
What is the InChIKey of triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane?
The InChIKey is PEIQYMKVCSUCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N2Si/c1-8-24-45(25-9-1)58-60-56(46-26-22-34-51(42-46)59(48-28-10-2-11-29-48,49-30-12-3-13-31-49)50-32-14-4-15-33-50)44-57(61-58)47-27-23-41-55(43-47)62(52-35-16-5-17-36-52,53-37-18-6-19-38-53)54-39-20-7-21-40-54/h1-44H.
What are the key properties of triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane?
triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane has a molecular weight of 809.10 g/mol, XLogP of 11.24, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane is sourced from PubChem (CID 176640932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).