2-[4-(6-deuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine;2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

C288H186N18O3S3 — CID 167613711

About 2-[4-(6-deuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine;2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

2-[4-(6-deuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine;2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 167613711) has the molecular formula C288H186N18O3S3 and a molecular weight of 4060.08 g/mol. Its IUPAC name is 2-[4-(6-deuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine;2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-(6-deuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine;2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 167613711
• Molecular Formula: C288H186N18O3S3
• Molecular Weight: 4060.08 g/mol
• Exact Mass: 4056.52
• IUPAC Name: 2-[4-(6-deuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine;2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3nc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nc(-c4ccccc4-c4ccccc4)n3)c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(sc3c(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6-c6ccccc6)n5)cc4)c([2H])c([2H])c([2H])c32)c1[2H].[2H]c1cccc2c1sc1c(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccccc5-c5ccccc5)n4)cc3)cccc12.c1ccc(-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6cccc7oc8ccccc8c67)c5)nc(-c5ccccc5-c5ccccc5)n4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5cccc(-c6cccc7oc8ccccc8c67)c5)nc(-c5ccccc5-c5ccccc5)n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3-c3nc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/3C51H33N3O.3C45H29N3S/c1-3-15-34(16-4-1)35-29-31-37(32-30-35)41-22-8-10-24-44(41)51-53-49(52-50(54-51)43-23-9-7-21-40(43)36-17-5-2-6-18-36)39-20-13-19-38(33-39)42-26-14-28-47-48(42)45-25-11-12-27-46(45)55-47;1-3-14-34(15-4-1)35-28-30-36(31-29-35)38-18-11-20-40(32-38)49-52-50(54-51(53-49)44-23-8-7-22-42(44)37-16-5-2-6-17-37)41-21-12-19-39(33-41)43-25-13-27-47-48(43)45-24-9-10-26-46(45)55-47;1-3-13-34(14-4-1)35-25-27-36(28-26-35)37-29-31-39(32-30-37)49-52-50(54-51(53-49)44-20-8-7-19-42(44)38-15-5-2-6-16-38)41-18-11-17-40(33-41)43-22-12-24-47-48(43)45-21-9-10-23-46(45)55-47;3*1-3-12-30(13-4-1)31-22-26-34(27-23-31)43-46-44(48-45(47-43)40-18-8-7-16-36(40)32-14-5-2-6-15-32)35-28-24-33(25-29-35)37-19-11-20-39-38-17-9-10-21-41(38)49-42(37)39/h3*1-33H;3*1-29H/i;;;1D,3D,4D,12D,13D,22D,23D,26D,27D;9D,10D,11D,17D,19D,20D,21D;21D
• InChIKey: LKVBVOXCSARHHE-VUSJTPRPSA-N
• XLogP: 77.04
• TPSA: 271.44 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 39
• Heavy Atoms: 312
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4060.08
LogP ≤ 5	77.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-deuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine;2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[4-(6-deuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine;2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 167613711) is 2-[4-(6-deuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine;2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-[4-(6-deuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine;2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-[4-(6-deuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine;2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3nc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nc(-c4ccccc4-c4ccccc4)n3)c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(sc3c(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6-c6ccccc6)n5)cc4)c([2H])c([2H])c([2H])c32)c1[2H].[2H]c1cccc2c1sc1c(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccccc5-c5ccccc5)n4)cc3)cccc12.c1ccc(-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6cccc7oc8ccccc8c67)c5)nc(-c5ccccc5-c5ccccc5)n4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5cccc(-c6cccc7oc8ccccc8c67)c5)nc(-c5ccccc5-c5ccccc5)n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3-c3nc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 2-[4-(6-deuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine;2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

The InChIKey is LKVBVOXCSARHHE-VUSJTPRPSA-N. The full InChI is InChI=1S/3C51H33N3O.3C45H29N3S/c1-3-15-34(16-4-1)35-29-31-37(32-30-35)41-22-8-10-24-44(41)51-53-49(52-50(54-51)43-23-9-7-21-40(43)36-17-5-2-6-18-36)39-20-13-19-38(33-39)42-26-14-28-47-48(42)45-25-11-12-27-46(45)55-47;1-3-14-34(15-4-1)35-28-30-36(31-29-35)38-18-11-20-40(32-38)49-52-50(54-51(53-49)44-23-8-7-22-42(44)37-16-5-2-6-17-37)41-21-12-19-39(33-41)43-25-13-27-47-48(43)45-24-9-10-26-46(45)55-47;1-3-13-34(14-4-1)35-25-27-36(28-26-35)37-29-31-39(32-30-37)49-52-50(54-51(53-49)44-20-8-7-19-42(44)38-15-5-2-6-16-38)41-18-11-17-40(33-41)43-22-12-24-47-48(43)45-21-9-10-23-46(45)55-47;3*1-3-12-30(13-4-1)31-22-26-34(27-23-31)43-46-44(48-45(47-43)40-18-8-7-16-36(40)32-14-5-2-6-15-32)35-28-24-33(25-29-35)37-19-11-20-39-38-17-9-10-21-41(38)49-42(37)39/h3*1-33H;3*1-29H/i;;;1D,3D,4D,12D,13D,22D,23D,26D,27D;9D,10D,11D,17D,19D,20D,21D;21D.

What are the key properties of 2-[4-(6-deuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine;2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

2-[4-(6-deuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine;2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 4060.08 g/mol, XLogP of 77.04, 39 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6-deuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine;2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167613711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).