6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile

C35H25N3Si — CID 164931591

IUPAC6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1
InChIInChI=1S/C35H25N3Si/c36-26-29-25-34(27-14-5-1-6-15-27)38-35(37-29)28-16-13-23-33(24-28)39(30-17-7-2-8-18-30,31-19-9-3-10-20-31)32-21-11-4-12-22-32/h1-25H
InChIKeyRVFUSFSMOKQWRM-UHFFFAOYSA-N
MW515.69 g/mol
LogP5.06
Rot. Bonds6

About 6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile

6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile (PubChem CID 164931591) has the molecular formula C35H25N3Si and a molecular weight of 515.69 g/mol. Its IUPAC name is 6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile
PubChem CID164931591
Molecular FormulaC35H25N3Si
Molecular Weight515.69 g/mol
Exact Mass515.18
IUPAC Name6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1
InChIInChI=1S/C35H25N3Si/c36-26-29-25-34(27-14-5-1-6-15-27)38-35(37-29)28-16-13-23-33(24-28)39(30-17-7-2-8-18-30,31-19-9-3-10-20-31)32-21-11-4-12-22-32/h1-25H
InChIKeyRVFUSFSMOKQWRM-UHFFFAOYSA-N
XLogP5.06
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.69
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane
CID 162701574
4,6-bis(3-triphenylsilylphenyl)pyrimidine-2-carbonitrile
CID 164931519
triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
CID 155622091
[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
[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
CID 161136668
[3-[2,5-diphenyl-3-[4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-triphenylsilane
CID 177078988
[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenylsilane;2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzonitrile;[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
CID 158316702
9-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-7-triphenylsilylcarbazole-2-carbonitrile
CID 153495104
4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 154614201

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile?
The IUPAC name of 6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile (CID 164931591) is 6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile is N#Cc1cc(-c2ccccc2)nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1.
What is the InChIKey of 6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile?
The InChIKey is RVFUSFSMOKQWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3Si/c36-26-29-25-34(27-14-5-1-6-15-27)38-35(37-29)28-16-13-23-33(24-28)39(30-17-7-2-8-18-30,31-19-9-3-10-20-31)32-21-11-4-12-22-32/h1-25H.
What are the key properties of 6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile?
6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile has a molecular weight of 515.69 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(3-triphenylsilylphenyl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 164931591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).