[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane

C40H30N2Si — CID 162701574

IUPAC[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C40H30N2Si/c1-6-17-31(18-7-1)38-30-39(32-19-8-2-9-20-32)42-40(41-38)33-21-16-28-37(29-33)43(34-22-10-3-11-23-34,35-24-12-4-13-25-35)36-26-14-5-15-27-36/h1-30H
InChIKeyRFCQTUBDUNCHGG-UHFFFAOYSA-N
MW566.78 g/mol
LogP6.86
Rot. Bonds7

About [3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane

[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane (PubChem CID 162701574) has the molecular formula C40H30N2Si and a molecular weight of 566.78 g/mol. Its IUPAC name is [3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane
PubChem CID162701574
Molecular FormulaC40H30N2Si
Molecular Weight566.78 g/mol
Exact Mass566.22
IUPAC Name[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C40H30N2Si/c1-6-17-31(18-7-1)38-30-39(32-19-8-2-9-20-32)42-40(41-38)33-21-16-28-37(29-33)43(34-22-10-3-11-23-34,35-24-12-4-13-25-35)36-26-14-5-15-27-36/h1-30H
InChIKeyRFCQTUBDUNCHGG-UHFFFAOYSA-N
XLogP6.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.78
LogP ≤ 56.86
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'}

Analyze [3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
CID 155622091
6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile
CID 164931591
[3-[4-[4-[4-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 158387824
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
triphenyl-[3-[4-phenyl-6-[2-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 161126582
triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane
CID 176640932
4,6-bis(3-triphenylsilylphenyl)pyrimidine-2-carbonitrile
CID 164931519
[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
CID 161136668
[3-[4-[2-[3-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 161006007
[3-[2,5-diphenyl-3-[4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-triphenylsilane
CID 177078988
2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614371
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250

Frequently Asked Questions

What is the IUPAC name of [3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane?
The IUPAC name of [3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane (CID 162701574) is [3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane.
What is the SMILES notation for [3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane?
The canonical SMILES for [3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.
What is the InChIKey of [3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane?
The InChIKey is RFCQTUBDUNCHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2Si/c1-6-17-31(18-7-1)38-30-39(32-19-8-2-9-20-32)42-40(41-38)33-21-16-28-37(29-33)43(34-22-10-3-11-23-34,35-24-12-4-13-25-35)36-26-14-5-15-27-36/h1-30H.
What are the key properties of [3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane?
[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane has a molecular weight of 566.78 g/mol, XLogP of 6.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 162701574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).