2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine

C24H17N3 — CID 168805950

IUPAC2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c2c(-c3nc(C)nc(-c4ccc5ccccc5c4)n3)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C24H17N3/c1-16-25-23(20-14-13-17-7-2-3-9-19(17)15-20)27-24(26-16)22-12-6-10-18-8-4-5-11-21(18)22/h2-15H,1H3/i4D,5D,6D,8D,10D,11D,12D
InChIKeyYVJSRXKIEKNFQZ-CTWGMNOPSA-N
MW354.46 g/mol
LogP5.82
Rot. Bonds2

About 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine

2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 168805950) has the molecular formula C24H17N3 and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID168805950
Molecular FormulaC24H17N3
Molecular Weight354.46 g/mol
Exact Mass354.19
IUPAC Name2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c2c(-c3nc(C)nc(-c4ccc5ccccc5c4)n3)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C24H17N3/c1-16-25-23(20-14-13-17-7-2-3-9-19(17)15-20)27-24(26-16)22-12-6-10-18-8-4-5-11-21(18)22/h2-15H,1H3/i4D,5D,6D,8D,10D,11D,12D
InChIKeyYVJSRXKIEKNFQZ-CTWGMNOPSA-N
XLogP5.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine 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

2-[3-[6-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 169039958
2-chloro-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 167454968
2-[3-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170691076
2-dibenzofuran-1-yl-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 169053834
2-naphthalen-1-yl-4-(2,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-1-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598345
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
2-[3-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]-4-(3-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 170691032
9-naphthalen-2-yl-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]anthracene
CID 167406859
2-[3-(6-dibenzothiophen-1-ylnaphthalen-2-yl)phenyl]-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 171731289
2-[4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-4-naphthalen-2-yl-6-(4,6,7,8-tetradeuterio-2-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 170926971
2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine
CID 164970097
2-dibenzothiophen-3-yl-4-[3-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 170691045

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine (CID 168805950) is 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine is [2H]c1c([2H])c([2H])c2c(-c3nc(C)nc(-c4ccc5ccccc5c4)n3)c([2H])c([2H])c([2H])c2c1[2H].
What is the InChIKey of 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is YVJSRXKIEKNFQZ-CTWGMNOPSA-N. The full InChI is InChI=1S/C24H17N3/c1-16-25-23(20-14-13-17-7-2-3-9-19(17)15-20)27-24(26-16)22-12-6-10-18-8-4-5-11-21(18)22/h2-15H,1H3/i4D,5D,6D,8D,10D,11D,12D.
What are the key properties of 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine?
2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 354.46 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 168805950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).