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

C55H37N3 — CID 170691049

IUPAC2-(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
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3ccc4cc(-c5ccccc5)ccc4c3)cc(-c3nc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])nc(-c4c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c4[2H])n3)c2)c([2H])c1[2H]
InChIInChI=1S/C55H37N3/c1-6-16-38(17-7-1)43-26-27-45-31-46(29-28-44(45)30-43)50-33-49(41-22-12-4-13-23-41)36-52(37-50)55-57-53(42-24-14-5-15-25-42)56-54(58-55)51-34-47(39-18-8-2-9-19-39)32-48(35-51)40-20-10-3-11-21-40/h1-37H/i2D,3D,4D,5D,8D,9D,10D,11D,12D,13D,14D,15D,18D,19D,20D,21D,22D,23D,24D,25D,32D,34D,35D
InChIKeyBHVCLIQECFKWPL-UTSQOUFDSA-N
MW763.06 g/mol
LogP14.36
Rot. Bonds8

About 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

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 (PubChem CID 170691049) has the molecular formula C55H37N3 and a molecular weight of 763.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID170691049
Molecular FormulaC55H37N3
Molecular Weight763.06 g/mol
Exact Mass762.44
IUPAC Name2-(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
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3ccc4cc(-c5ccccc5)ccc4c3)cc(-c3nc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])nc(-c4c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c4[2H])n3)c2)c([2H])c1[2H]
InChIInChI=1S/C55H37N3/c1-6-16-38(17-7-1)43-26-27-45-31-46(29-28-44(45)30-43)50-33-49(41-22-12-4-13-23-41)36-52(37-50)55-57-53(42-24-14-5-15-25-42)56-54(58-55)51-34-47(39-18-8-2-9-19-39)32-48(35-51)40-20-10-3-11-21-40/h1-37H/i2D,3D,4D,5D,8D,9D,10D,11D,12D,13D,14D,15D,18D,19D,20D,21D,22D,23D,24D,25D,32D,34D,35D
InChIKeyBHVCLIQECFKWPL-UTSQOUFDSA-N
XLogP14.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.06
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine
CID 164970097
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-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-[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
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
2,4-bis(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-naphthalen-2-ylphenyl)phenyl]naphthalene;2-naphthalen-2-yl-4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 163792749
2-(3-dibenzofuran-4-ylphenyl)-4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(6-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 170691026
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-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948
2,4-diphenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166737815
2-chloro-4-naphthalen-2-yl-6-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 171731211

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2cc(-c3ccc4cc(-c5ccccc5)ccc4c3)cc(-c3nc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])nc(-c4c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c4[2H])n3)c2)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is BHVCLIQECFKWPL-UTSQOUFDSA-N. The full InChI is InChI=1S/C55H37N3/c1-6-16-38(17-7-1)43-26-27-45-31-46(29-28-44(45)30-43)50-33-49(41-22-12-4-13-23-41)36-52(37-50)55-57-53(42-24-14-5-15-25-42)56-54(58-55)51-34-47(39-18-8-2-9-19-39)32-48(35-51)40-20-10-3-11-21-40/h1-37H/i2D,3D,4D,5D,8D,9D,10D,11D,12D,13D,14D,15D,18D,19D,20D,21D,22D,23D,24D,25D,32D,34D,35D.
What are the key properties of 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?
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 has a molecular weight of 763.06 g/mol, XLogP of 14.36, 8 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-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 is sourced from PubChem (CID 170691049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).