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

C25H16ClN3 — CID 176767502

IUPAC2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(-c4nc(Cl)nc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])n4)cccc3c2)c([2H])c1[2H]
InChIInChI=1S/C25H16ClN3/c26-25-28-23(18-10-5-2-6-11-18)27-24(29-25)22-13-7-12-20-16-19(14-15-21(20)22)17-8-3-1-4-9-17/h1-16H/i1D,2D,3D,4D,5D,6D,8D,9D,10D,11D
InChIKeyYNWVQBOLFGQIPF-RYDBCNKQSA-N
MW403.94 g/mol
LogP6.68
Rot. Bonds3

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

2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 176767502) has the molecular formula C25H16ClN3 and a molecular weight of 403.94 g/mol. Its IUPAC name is 2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-1,3,5-triazine
PubChem CID176767502
Molecular FormulaC25H16ClN3
Molecular Weight403.94 g/mol
Exact Mass403.17
IUPAC Name2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(-c4nc(Cl)nc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])n4)cccc3c2)c([2H])c1[2H]
InChIInChI=1S/C25H16ClN3/c26-25-28-23(18-10-5-2-6-11-18)27-24(29-25)22-13-7-12-20-16-19(14-15-21(20)22)17-8-3-1-4-9-17/h1-16H/i1D,2D,3D,4D,5D,6D,8D,9D,10D,11D
InChIKeyYNWVQBOLFGQIPF-RYDBCNKQSA-N
XLogP6.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.94
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 170691103
2-chloro-4-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-6-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 171587082
2-chloro-4-(3-naphthalen-1-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171730934
2-chloro-4-naphthalen-2-yl-6-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 171731211
2-(2-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 176831507
2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 169039948
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-(4-naphthalen-1-ylphenyl)-4-[3-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 166022217
2-chloro-4-[3-(2-phenanthren-1-ylphenyl)phenyl]-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 172509602
2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine
CID 165041831
2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 176627431

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 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) is 2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2ccc3c(-c4nc(Cl)nc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])n4)cccc3c2)c([2H])c1[2H].
What is the InChIKey of 2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is YNWVQBOLFGQIPF-RYDBCNKQSA-N. The full InChI is InChI=1S/C25H16ClN3/c26-25-28-23(18-10-5-2-6-11-18)27-24(29-25)22-13-7-12-20-16-19(14-15-21(20)22)17-8-3-1-4-9-17/h1-16H/i1D,2D,3D,4D,5D,6D,8D,9D,10D,11D.
What are the key properties of 2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-1,3,5-triazine?
2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 403.94 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 176767502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).