12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-[4-[4-[3-methyl-5-(trideuteriomethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole

C125H83N15 — CID 163780845

About 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-[4-[4-[3-methyl-5-(trideuteriomethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole

12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-[4-[4-[3-methyl-5-(trideuteriomethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 163780845) has the molecular formula C125H83N15 and a molecular weight of 1828.35 g/mol. Its IUPAC name is 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-[4-[4-[3-methyl-5-(trideuteriomethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-[4-[4-[3-methyl-5-(trideuteriomethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
• PubChem CID: 163780845
• Molecular Formula: C125H83N15
• Molecular Weight: 1828.35 g/mol
• Exact Mass: 1826.90
• IUPAC Name: 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-[4-[4-[3-methyl-5-(trideuteriomethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
• SMILES: [2H]C([2H])([2H])c1cc(C)cc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)c1.[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c5c43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c32)c([2H])c1[2H]
• InChI: InChI=1S/C47H33N5.2C39H25N5/c1-30-27-31(2)29-35(28-30)32-21-23-34(24-22-32)46-48-45(33-13-5-3-6-14-33)49-47(50-46)52-42-20-12-10-18-38(42)40-26-25-39-37-17-9-11-19-41(37)51(43(39)44(40)52)36-15-7-4-8-16-36;2*1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h3-29H,1-2H3;2*1-25H/i1D3;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D;3D,8D,9D,18D,19D
• InChIKey: MOLOIAXFVCMYQF-CRYQSWFFSA-N
• XLogP: 30.48
• TPSA: 145.59 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1828.35
LogP ≤ 5	30.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-[4-[4-[3-methyl-5-(trideuteriomethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?

The IUPAC name of 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-[4-[4-[3-methyl-5-(trideuteriomethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole (CID 163780845) is 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-[4-[4-[3-methyl-5-(trideuteriomethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole.

What is the SMILES notation for 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-[4-[4-[3-methyl-5-(trideuteriomethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?

The canonical SMILES for 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-[4-[4-[3-methyl-5-(trideuteriomethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole is [2H]C([2H])([2H])c1cc(C)cc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)c1.[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c5c43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c32)c([2H])c1[2H].

What is the InChIKey of 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-[4-[4-[3-methyl-5-(trideuteriomethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?

The InChIKey is MOLOIAXFVCMYQF-CRYQSWFFSA-N. The full InChI is InChI=1S/C47H33N5.2C39H25N5/c1-30-27-31(2)29-35(28-30)32-21-23-34(24-22-32)46-48-45(33-13-5-3-6-14-33)49-47(50-46)52-42-20-12-10-18-38(42)40-26-25-39-37-17-9-11-19-41(37)51(43(39)44(40)52)36-15-7-4-8-16-36;2*1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h3-29H,1-2H3;2*1-25H/i1D3;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D;3D,8D,9D,18D,19D.

What are the key properties of 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-[4-[4-[3-methyl-5-(trideuteriomethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?

12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-[4-[4-[3-methyl-5-(trideuteriomethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 1828.35 g/mol, XLogP of 30.48, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;12-[4-[4-[3-methyl-5-(trideuteriomethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 163780845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).