2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

C29H18ClN3 — CID 171469862

IUPAC2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILES[2H]c1cc([2H])c(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c([2H])c1Cl
InChIInChI=1S/C29H18ClN3/c30-26-11-5-10-23(18-26)27-31-28(24-14-12-19-6-1-3-8-21(19)16-24)33-29(32-27)25-15-13-20-7-2-4-9-22(20)17-25/h1-18H/i10D,11D,18D
InChIKeyIRJUEQRHOUVOLW-CHYKZQLPSA-N
MW446.96 g/mol
LogP7.83
Rot. Bonds3

About 2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 171469862) has the molecular formula C29H18ClN3 and a molecular weight of 446.96 g/mol. Its IUPAC name is 2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID171469862
Molecular FormulaC29H18ClN3
Molecular Weight446.96 g/mol
Exact Mass446.14
IUPAC Name2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILES[2H]c1cc([2H])c(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c([2H])c1Cl
InChIInChI=1S/C29H18ClN3/c30-26-11-5-10-23(18-26)27-31-28(24-14-12-19-6-1-3-8-21(19)16-24)33-29(32-27)25-15-13-20-7-2-4-9-22(20)17-25/h1-18H/i10D,11D,18D
InChIKeyIRJUEQRHOUVOLW-CHYKZQLPSA-N
XLogP7.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.96
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-naphthalen-2-yl-6-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 171731211
2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine
CID 164970097
4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 141478206
2-[4-(3-chlorophenyl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166916408
2-(6-chloronaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 129263325
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-naphthalen-2-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176588187
2-(3,5-dipyridin-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118582331
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane
CID 165043566
2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 164745875
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 171469862) is 2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is [2H]c1cc([2H])c(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c([2H])c1Cl.
What is the InChIKey of 2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is IRJUEQRHOUVOLW-CHYKZQLPSA-N. The full InChI is InChI=1S/C29H18ClN3/c30-26-11-5-10-23(18-26)27-31-28(24-14-12-19-6-1-3-8-21(19)16-24)33-29(32-27)25-15-13-20-7-2-4-9-22(20)17-25/h1-18H/i10D,11D,18D.
What are the key properties of 2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 446.96 g/mol, XLogP of 7.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 171469862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).