2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

C19H12ClN3 — CID 170691103

IUPAC2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(Cl)nc(-c3cccc4ccccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C19H12ClN3/c20-19-22-17(14-8-2-1-3-9-14)21-18(23-19)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H/i1D,2D,3D,8D,9D
InChIKeyBCJVAUGUKQWPRH-NWCULCSXSA-N
MW322.81 g/mol
LogP5.01
Rot. Bonds2

About 2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (PubChem CID 170691103) has the molecular formula C19H12ClN3 and a molecular weight of 322.81 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
PubChem CID170691103
Molecular FormulaC19H12ClN3
Molecular Weight322.81 g/mol
Exact Mass322.10
IUPAC Name2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(Cl)nc(-c3cccc4ccccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C19H12ClN3/c20-19-22-17(14-8-2-1-3-9-14)21-18(23-19)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H/i1D,2D,3D,8D,9D
InChIKeyBCJVAUGUKQWPRH-NWCULCSXSA-N
XLogP5.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.81
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(3-naphthalen-1-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171730934
2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-1,3,5-triazine
CID 176767502
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 176627431
2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 168731930
2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
CID 171598261
2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 126755474
2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 169039948
2,4-dichloro-6-[2-(2-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
CID 177076670
2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 170941961
2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-[3-(4-naphthalen-1-ylphenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171469883
9-[4-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155018513

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (CID 170691103) is 2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2nc(Cl)nc(-c3cccc4ccccc34)n2)c([2H])c1[2H].
What is the InChIKey of 2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The InChIKey is BCJVAUGUKQWPRH-NWCULCSXSA-N. The full InChI is InChI=1S/C19H12ClN3/c20-19-22-17(14-8-2-1-3-9-14)21-18(23-19)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H/i1D,2D,3D,8D,9D.
What are the key properties of 2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine has a molecular weight of 322.81 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is sourced from PubChem (CID 170691103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).