12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-7-phenylindolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-b]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-c]carbazole

C204H124N20S4 — CID 167682643

About 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-7-phenylindolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-b]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-c]carbazole

12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-7-phenylindolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-b]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 167682643) has the molecular formula C204H124N20S4 and a molecular weight of 3023.89 g/mol. Its IUPAC name is 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-7-phenylindolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-b]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-7-phenylindolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-b]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-c]carbazole
• PubChem CID: 167682643
• Molecular Formula: C204H124N20S4
• Molecular Weight: 3023.89 g/mol
• Exact Mass: 3021.17
• IUPAC Name: 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-7-phenylindolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-b]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-c]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3cccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)c34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3cccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)c34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H]
• InChI: InChI=1S/4C51H31N5S/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-38-47(29-34)57-46-26-14-25-43(48(38)46)56-42-24-13-11-22-37(42)40-30-44-39(31-45(40)56)36-21-10-12-23-41(36)55(44)35-19-8-3-9-20-35;1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-38-47(29-34)57-46-26-14-25-43(48(38)46)56-42-24-13-11-22-37(42)40-30-39-36-21-10-12-23-41(36)55(44(39)31-45(40)56)35-19-8-3-9-20-35;1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-39-45(31-34)57-44-26-14-25-42(46(39)44)56-40-23-12-10-21-36(40)37-29-30-43-47(48(37)56)38-22-11-13-24-41(38)55(43)35-19-8-3-9-20-35;1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-40-45(31-34)57-44-26-14-25-43(46(40)44)56-42-24-13-11-22-37(42)39-30-29-38-36-21-10-12-23-41(36)55(47(38)48(39)56)35-19-8-3-9-20-35/h4*1-31H/i4*1D,2D,4D,5D,6D,7D,15D,16D,17D,18D
• InChIKey: VTMIAYQDNBOCNA-VKNNMDEUSA-N
• XLogP: 53.74
• TPSA: 194.12 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3023.89
LogP ≤ 5	53.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-7-phenylindolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-b]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-c]carbazole?

The IUPAC name of 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-7-phenylindolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-b]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-c]carbazole (CID 167682643) is 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-7-phenylindolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-b]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-c]carbazole.

What is the SMILES notation for 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-7-phenylindolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-b]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-c]carbazole?

The canonical SMILES for 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-7-phenylindolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-b]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-c]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3cccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)c34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3cccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)c34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].

What is the InChIKey of 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-7-phenylindolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-b]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-c]carbazole?

The InChIKey is VTMIAYQDNBOCNA-VKNNMDEUSA-N. The full InChI is InChI=1S/4C51H31N5S/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-38-47(29-34)57-46-26-14-25-43(48(38)46)56-42-24-13-11-22-37(42)40-30-44-39(31-45(40)56)36-21-10-12-23-41(36)55(44)35-19-8-3-9-20-35;1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-38-47(29-34)57-46-26-14-25-43(48(38)46)56-42-24-13-11-22-37(42)40-30-39-36-21-10-12-23-41(36)55(44(39)31-45(40)56)35-19-8-3-9-20-35;1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-39-45(31-34)57-44-26-14-25-42(46(39)44)56-40-23-12-10-21-36(40)37-29-30-43-47(48(37)56)38-22-11-13-24-41(38)55(43)35-19-8-3-9-20-35;1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-40-45(31-34)57-44-26-14-25-43(46(40)44)56-42-24-13-11-22-37(42)39-30-29-38-36-21-10-12-23-41(36)55(47(38)48(39)56)35-19-8-3-9-20-35/h4*1-31H/i4*1D,2D,4D,5D,6D,7D,15D,16D,17D,18D.

What are the key properties of 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-7-phenylindolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-b]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-c]carbazole?

12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-7-phenylindolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-b]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 3023.89 g/mol, XLogP of 53.74, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-7-phenylindolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-b]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 167682643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).