[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane

C33H24ClN3Si — CID 161136668

IUPAC[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
SMILESClc1nc(-c2ccccc2)nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1
InChIInChI=1S/C33H24ClN3Si/c34-33-36-31(25-14-5-1-6-15-25)35-32(37-33)26-16-13-23-30(24-26)38(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-24H
InChIKeyUOUKEGPOHWRKFU-UHFFFAOYSA-N
MW526.12 g/mol
LogP5.24
Rot. Bonds6

About [3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane

[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane (PubChem CID 161136668) has the molecular formula C33H24ClN3Si and a molecular weight of 526.12 g/mol. Its IUPAC name is [3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
PubChem CID161136668
Molecular FormulaC33H24ClN3Si
Molecular Weight526.12 g/mol
Exact Mass525.14
IUPAC Name[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
SMILESClc1nc(-c2ccccc2)nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1
InChIInChI=1S/C33H24ClN3Si/c34-33-36-31(25-14-5-1-6-15-25)35-32(37-33)26-16-13-23-30(24-26)38(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-24H
InChIKeyUOUKEGPOHWRKFU-UHFFFAOYSA-N
XLogP5.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.12
LogP ≤ 55.24
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

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
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
[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-(4,6-diphenylpyrimidin-2-yl)phenyl]-triphenylsilane
CID 162701574
3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline
CID 170034814
3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 137370789
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166022207
[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane
CID 156690632
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200
dibenzothiophen-3-yl-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
CID 164757082

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane?
The IUPAC name of [3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane (CID 161136668) is [3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane.
What is the SMILES notation for [3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane?
The canonical SMILES for [3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane is Clc1nc(-c2ccccc2)nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1.
What is the InChIKey of [3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane?
The InChIKey is UOUKEGPOHWRKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24ClN3Si/c34-33-36-31(25-14-5-1-6-15-25)35-32(37-33)26-16-13-23-30(24-26)38(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-24H.
What are the key properties of [3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane?
[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane has a molecular weight of 526.12 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 161136668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).