2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine

C51H31N3OS — CID 170514665

IUPAC2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3cccc(-c5cc(-c6ccccc6)cc6c5oc5ccccc56)c34)nc(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3[2H])n2)c([2H])c1[2H]
InChIInChI=1S/C51H31N3OS/c1-4-13-32(14-5-1)34-23-25-36(26-24-34)50-52-49(35-17-8-3-9-18-35)53-51(54-50)37-27-28-41-46(31-37)56-45-22-12-20-40(47(41)45)43-30-38(33-15-6-2-7-16-33)29-42-39-19-10-11-21-44(39)55-48(42)43/h1-31H/i1D,3D,4D,5D,8D,9D,13D,14D,17D,18D,23D,24D,25D,26D
InChIKeyOFQABHNPLLHYMP-JADOXAPQSA-N
MW747.98 g/mol
LogP14.14
Rot. Bonds6

About 2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine

2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine (PubChem CID 170514665) has the molecular formula C51H31N3OS and a molecular weight of 747.98 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
PubChem CID170514665
Molecular FormulaC51H31N3OS
Molecular Weight747.98 g/mol
Exact Mass747.31
IUPAC Name2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3cccc(-c5cc(-c6ccccc6)cc6c5oc5ccccc56)c34)nc(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3[2H])n2)c([2H])c1[2H]
InChIInChI=1S/C51H31N3OS/c1-4-13-32(14-5-1)34-23-25-36(26-24-34)50-52-49(35-17-8-3-9-18-35)53-51(54-50)37-27-28-41-46(31-37)56-45-22-12-20-40(47(41)45)43-30-38(33-15-6-2-7-16-33)29-42-39-19-10-11-21-44(39)55-48(42)43/h1-31H/i1D,3D,4D,5D,8D,9D,13D,14D,17D,18D,23D,24D,25D,26D
InChIKeyOFQABHNPLLHYMP-JADOXAPQSA-N
XLogP14.14
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.98
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199155
2-(7-dibenzofuran-4-yldibenzothiophen-2-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazine
CID 169059342
2-[3-(9-dibenzofuran-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377179
2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 170514697
2-dibenzofuran-3-yl-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 171050772
2-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952912
9-[7-[4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[7-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[7-[4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole
CID 158845503
2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 168769914
2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170202632
2,4-diphenyl-6-[9-(1-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199156
2-dibenzofuran-4-yl-4-[6-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 168770330
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 168770032

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine (CID 170514665) is 2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(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-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3cccc(-c5cc(-c6ccccc6)cc6c5oc5ccccc56)c34)nc(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3[2H])n2)c([2H])c1[2H].
What is the InChIKey of 2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The InChIKey is OFQABHNPLLHYMP-JADOXAPQSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-4-13-32(14-5-1)34-23-25-36(26-24-34)50-52-49(35-17-8-3-9-18-35)53-51(54-50)37-27-28-41-46(31-37)56-45-22-12-20-40(47(41)45)43-30-38(33-15-6-2-7-16-33)29-42-39-19-10-11-21-44(39)55-48(42)43/h1-31H/i1D,3D,4D,5D,8D,9D,13D,14D,17D,18D,23D,24D,25D,26D.
What are the key properties of 2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine has a molecular weight of 747.98 g/mol, XLogP of 14.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 170514665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).