2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine

C104H62N6O2S2 — CID 159674489

About 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine

2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine (PubChem CID 159674489) has the molecular formula C104H62N6O2S2 and a molecular weight of 1496.84 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine
• PubChem CID: 159674489
• Molecular Formula: C104H62N6O2S2
• Molecular Weight: 1496.84 g/mol
• Exact Mass: 1495.47
• IUPAC Name: 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine
• SMILES: [2H]c1c([2H])c([2H])c(-c2nc(-c3cc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c4ccccc4c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c([2H])c1[2H].c1ccc(-c2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5ccccc45)n3)cc(-c3cccc4c3sc3c(-c5ccccc5)cccc34)c2)cc1
• InChI: InChI=1S/C55H33N3OS.C49H29N3OS/c1-3-14-34(15-4-1)38-30-39(43-23-13-25-47-46-24-12-22-42(51(46)60-52(43)47)36-16-5-2-6-17-36)32-40(31-38)54-56-53(37-28-29-45-44-21-9-10-27-49(44)59-50(45)33-37)57-55(58-54)48-26-11-19-35-18-7-8-20-41(35)48;1-3-13-30(14-4-1)36-20-11-21-39-40-22-12-23-41(46(40)54-45(36)39)42-28-34(27-32-17-7-8-18-35(32)42)49-51-47(31-15-5-2-6-16-31)50-48(52-49)33-25-26-38-37-19-9-10-24-43(37)53-44(38)29-33/h1-33H;1-29H/i;2D,5D,6D,15D,16D
• InChIKey: MUKOIZBWHWSVMG-GHLNKIMVSA-N
• XLogP: 28.92
• TPSA: 103.62 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1496.84
LogP ≤ 5	28.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine (CID 159674489) is 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2nc(-c3cc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c4ccccc4c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c([2H])c1[2H].c1ccc(-c2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5ccccc45)n3)cc(-c3cccc4c3sc3c(-c5ccccc5)cccc34)c2)cc1.

What is the InChIKey of 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine?

The InChIKey is MUKOIZBWHWSVMG-GHLNKIMVSA-N. The full InChI is InChI=1S/C55H33N3OS.C49H29N3OS/c1-3-14-34(15-4-1)38-30-39(43-23-13-25-47-46-24-12-22-42(51(46)60-52(43)47)36-16-5-2-6-17-36)32-40(31-38)54-56-53(37-28-29-45-44-21-9-10-27-49(44)59-50(45)33-37)57-55(58-54)48-26-11-19-35-18-7-8-20-41(35)48;1-3-13-30(14-4-1)36-20-11-21-39-40-22-12-23-41(46(40)54-45(36)39)42-28-34(27-32-17-7-8-18-35(32)42)49-51-47(31-15-5-2-6-16-31)50-48(52-49)33-25-26-38-37-19-9-10-24-43(37)53-44(38)29-33/h1-33H;1-29H/i;2D,5D,6D,15D,16D.

What are the key properties of 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine?

2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine has a molecular weight of 1496.84 g/mol, XLogP of 28.92, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 159674489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).