2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

C15H11N3 — CID 87305393

IUPAC2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2ncnc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H]
InChIInChI=1S/C15H11N3/c1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13/h1-11H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
InChIKeyOTJZMNIBLUCUJZ-LHNTUAQVSA-N
MW243.34 g/mol
LogP3.21
Rot. Bonds2

About 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (PubChem CID 87305393) has the molecular formula C15H11N3 and a molecular weight of 243.34 g/mol. Its IUPAC name is 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
PubChem CID87305393
Molecular FormulaC15H11N3
Molecular Weight243.34 g/mol
Exact Mass243.16
IUPAC Name2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2ncnc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H]
InChIInChI=1S/C15H11N3/c1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13/h1-11H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
InChIKeyOTJZMNIBLUCUJZ-LHNTUAQVSA-N
XLogP3.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2,3,5,6-tetradeuteriophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 170926644
2-(4-chlorophenyl)-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 155783835
9-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 168832490
2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 126755474
2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 168769734
2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 163512941
2-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-6-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)-1,3,5-triazine
CID 176831351
2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine
CID 164970097
2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 153288146
2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-6-(8-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 168770416
2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 170691103
2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 170926439

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (CID 87305393) is 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2ncnc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].
What is the InChIKey of 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The InChIKey is OTJZMNIBLUCUJZ-LHNTUAQVSA-N. The full InChI is InChI=1S/C15H11N3/c1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13/h1-11H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D.
What are the key properties of 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine has a molecular weight of 243.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is sourced from PubChem (CID 87305393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).