2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine

C39H25N3 — CID 164970097

IUPAC2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3c2)c([2H])c1[2H]
InChIInChI=1S/C39H25N3/c1-2-8-26(9-3-1)32-18-14-29-17-21-35(25-36(29)24-32)39-41-37(33-19-15-27-10-4-6-12-30(27)22-33)40-38(42-39)34-20-16-28-11-5-7-13-31(28)23-34/h1-25H/i1D,2D,3D,8D,9D
InChIKeyASHJKQKLXMYLDT-NWCULCSXSA-N
MW540.68 g/mol
LogP10.00
Rot. Bonds4

About 2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine

2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine (PubChem CID 164970097) has the molecular formula C39H25N3 and a molecular weight of 540.68 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine
PubChem CID164970097
Molecular FormulaC39H25N3
Molecular Weight540.68 g/mol
Exact Mass540.24
IUPAC Name2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3c2)c([2H])c1[2H]
InChIInChI=1S/C39H25N3/c1-2-8-26(9-3-1)32-18-14-29-17-21-35(25-36(29)24-32)39-41-37(33-19-15-27-10-4-6-12-30(27)22-33)40-38(42-39)34-20-16-28-11-5-7-13-31(28)23-34/h1-25H/i1D,2D,3D,8D,9D
InChIKeyASHJKQKLXMYLDT-NWCULCSXSA-N
XLogP10.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.68
LogP ≤ 510.00
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;2,4-dinaphthalen-2-yl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazine;2,4,6-tris(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 165016718
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-naphthalen-2-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176588187
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-[3-(4-naphthalen-1-ylphenyl)phenyl]-4-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169302456
2-(2,3,4,5,6-pentadeuteriophenyl)-4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(6-phenylnaphthalen-2-yl)phenyl]-6-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 170691049
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 158541429
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 171461508
2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazine
CID 165102313
2-[5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022151

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine (CID 164970097) is 2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2ccc3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3c2)c([2H])c1[2H].
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine?
The InChIKey is ASHJKQKLXMYLDT-NWCULCSXSA-N. The full InChI is InChI=1S/C39H25N3/c1-2-8-26(9-3-1)32-18-14-29-17-21-35(25-36(29)24-32)39-41-37(33-19-15-27-10-4-6-12-30(27)22-33)40-38(42-39)34-20-16-28-11-5-7-13-31(28)23-34/h1-25H/i1D,2D,3D,8D,9D.
What are the key properties of 2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine has a molecular weight of 540.68 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 164970097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).