4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenyldibenzothiophen-2-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,5,6,7,11,12,16,17,18,19-decadeuterio-9-phenyl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]carbazole;2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-4-yl]phenyl]-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine

C223H146N16OS3 — CID 164957427

About 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenyldibenzothiophen-2-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,5,6,7,11,12,16,17,18,19-decadeuterio-9-phenyl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]carbazole;2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-4-yl]phenyl]-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine

4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenyldibenzothiophen-2-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,5,6,7,11,12,16,17,18,19-decadeuterio-9-phenyl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]carbazole;2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-4-yl]phenyl]-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine (PubChem CID 164957427) has the molecular formula C223H146N16OS3 and a molecular weight of 3269.59 g/mol. Its IUPAC name is 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenyldibenzothiophen-2-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,5,6,7,11,12,16,17,18,19-decadeuterio-9-phenyl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]carbazole;2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-4-yl]phenyl]-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenyldibenzothiophen-2-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,5,6,7,11,12,16,17,18,19-decadeuterio-9-phenyl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]carbazole;2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-4-yl]phenyl]-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine
• PubChem CID: 164957427
• Molecular Formula: C223H146N16OS3
• Molecular Weight: 3269.59 g/mol
• Exact Mass: 3266.77
• IUPAC Name: 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenyldibenzothiophen-2-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,5,6,7,11,12,16,17,18,19-decadeuterio-9-phenyl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]carbazole;2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-4-yl]phenyl]-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine
• SMILES: [2H]c1c([2H])c(C)c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c4c5c([2H])c([2H])c([2H])c([2H])c5n(-c5cc(-c6ccccc6)c6sc7ccccc7c6c5)c4c([2H])c([2H])c32)c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c(C)c([2H])c3[2H])nc(-c3c([2H])c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c(-n6c7c([2H])c([2H])c([2H])c([2H])c7c7c([2H])c([2H])c([2H])c([2H])c76)c([2H])c([2H])c54)c([2H])c3[2H])n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c(C)c([2H])c3[2H])nc(-c3c([2H])c([2H])c([2H])c4c3oc3c(-c5c([2H])c([2H])c([2H])c(-n6c7c([2H])c([2H])c([2H])c([2H])c7c7c([2H])c([2H])c([2H])c([2H])c76)c5[2H])c([2H])c([2H])c([2H])c34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c(C)c3[2H])nc(-c3c([2H])c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c4sc4c(-c6c([2H])c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c([2H])c6[2H])c([2H])c([2H])c([2H])c45)c3[2H])n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])c1c3c4c([2H])c([2H])c([2H])c([2H])c4n(-c4cc(-c5ccccc5)c5sc6ccccc6c5c4)c3c([2H])c([2H])c1n2-c1ccccc1
• InChI: InChI=1S/C46H31N5.C46H30N4O.C46H31N3S.C43H28N2S.C42H26N2S/c1-30-19-21-32(22-20-30)45-47-44(31-11-3-2-4-12-31)48-46(49-45)33-23-25-34(26-24-33)50-42-18-10-7-15-38(42)39-29-35(27-28-43(39)50)51-40-16-8-5-13-36(40)37-14-6-9-17-41(37)51;1-29-24-26-31(27-25-29)45-47-44(30-12-3-2-4-13-30)48-46(49-45)39-21-11-20-38-37-19-10-18-34(42(37)51-43(38)39)32-14-9-15-33(28-32)50-40-22-7-5-16-35(40)36-17-6-8-23-41(36)50;1-30-12-8-18-36(28-30)45-47-44(34-15-6-3-7-16-34)48-46(49-45)37-19-9-17-35(29-37)39-21-11-23-41-40-22-10-20-38(42(40)50-43(39)41)33-26-24-32(25-27-33)31-13-4-2-5-14-31;1-27-12-11-15-29(24-27)44-36-19-8-5-17-32(36)41-38(44)22-23-39-42(41)33-18-6-9-20-37(33)45(39)30-25-34(28-13-3-2-4-14-28)43-35(26-30)31-16-7-10-21-40(31)46-43;1-3-13-27(14-4-1)33-25-29(26-34-30-17-9-12-22-39(30)45-42(33)34)44-36-21-11-8-19-32(36)41-38(44)24-23-37-40(41)31-18-7-10-20-35(31)43(37)28-15-5-2-6-16-28/h2-29H,1H3;2-28H,1H3;2-29H,1H3;2-26H,1H3;1-26H/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D;2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D;2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D;5D,6D,8D,9D,11D,12D,15D,17D,18D,19D,20D,22D,23D,24D;7D,8D,10D,11D,18D,19D,20D,21D,23D,24D
• InChIKey: BJBOPKSLZBYHHH-FMSVROHXSA-N
• XLogP: 59.91
• TPSA: 163.66 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3269.59
LogP ≤ 5	59.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenyldibenzothiophen-2-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,5,6,7,11,12,16,17,18,19-decadeuterio-9-phenyl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]carbazole;2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-4-yl]phenyl]-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine?

The IUPAC name of 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenyldibenzothiophen-2-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,5,6,7,11,12,16,17,18,19-decadeuterio-9-phenyl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]carbazole;2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-4-yl]phenyl]-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine (CID 164957427) is 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenyldibenzothiophen-2-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,5,6,7,11,12,16,17,18,19-decadeuterio-9-phenyl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]carbazole;2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-4-yl]phenyl]-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine.

What is the SMILES notation for 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenyldibenzothiophen-2-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,5,6,7,11,12,16,17,18,19-decadeuterio-9-phenyl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]carbazole;2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-4-yl]phenyl]-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine?

The canonical SMILES for 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenyldibenzothiophen-2-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,5,6,7,11,12,16,17,18,19-decadeuterio-9-phenyl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]carbazole;2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-4-yl]phenyl]-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine is [2H]c1c([2H])c(C)c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c4c5c([2H])c([2H])c([2H])c([2H])c5n(-c5cc(-c6ccccc6)c6sc7ccccc7c6c5)c4c([2H])c([2H])c32)c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c(C)c([2H])c3[2H])nc(-c3c([2H])c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c(-n6c7c([2H])c([2H])c([2H])c([2H])c7c7c([2H])c([2H])c([2H])c([2H])c76)c([2H])c([2H])c54)c([2H])c3[2H])n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c(C)c([2H])c3[2H])nc(-c3c([2H])c([2H])c([2H])c4c3oc3c(-c5c([2H])c([2H])c([2H])c(-n6c7c([2H])c([2H])c([2H])c([2H])c7c7c([2H])c([2H])c([2H])c([2H])c76)c5[2H])c([2H])c([2H])c([2H])c34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c(C)c3[2H])nc(-c3c([2H])c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c4sc4c(-c6c([2H])c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c([2H])c6[2H])c([2H])c([2H])c([2H])c45)c3[2H])n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])c1c3c4c([2H])c([2H])c([2H])c([2H])c4n(-c4cc(-c5ccccc5)c5sc6ccccc6c5c4)c3c([2H])c([2H])c1n2-c1ccccc1.

What is the InChIKey of 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenyldibenzothiophen-2-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,5,6,7,11,12,16,17,18,19-decadeuterio-9-phenyl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]carbazole;2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-4-yl]phenyl]-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine?

The InChIKey is BJBOPKSLZBYHHH-FMSVROHXSA-N. The full InChI is InChI=1S/C46H31N5.C46H30N4O.C46H31N3S.C43H28N2S.C42H26N2S/c1-30-19-21-32(22-20-30)45-47-44(31-11-3-2-4-12-31)48-46(49-45)33-23-25-34(26-24-33)50-42-18-10-7-15-38(42)39-29-35(27-28-43(39)50)51-40-16-8-5-13-36(40)37-14-6-9-17-41(37)51;1-29-24-26-31(27-25-29)45-47-44(30-12-3-2-4-13-30)48-46(49-45)39-21-11-20-38-37-19-10-18-34(42(37)51-43(38)39)32-14-9-15-33(28-32)50-40-22-7-5-16-35(40)36-17-6-8-23-41(36)50;1-30-12-8-18-36(28-30)45-47-44(34-15-6-3-7-16-34)48-46(49-45)37-19-9-17-35(29-37)39-21-11-23-41-40-22-10-20-38(42(40)50-43(39)41)33-26-24-32(25-27-33)31-13-4-2-5-14-31;1-27-12-11-15-29(24-27)44-36-19-8-5-17-32(36)41-38(44)22-23-39-42(41)33-18-6-9-20-37(33)45(39)30-25-34(28-13-3-2-4-14-28)43-35(26-30)31-16-7-10-21-40(31)46-43;1-3-13-27(14-4-1)33-25-29(26-34-30-17-9-12-22-39(30)45-42(33)34)44-36-21-11-8-19-32(36)41-38(44)24-23-37-40(41)31-18-7-10-20-35(31)43(37)28-15-5-2-6-16-28/h2-29H,1H3;2-28H,1H3;2-29H,1H3;2-26H,1H3;1-26H/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D;2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D;2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D;5D,6D,8D,9D,11D,12D,15D,17D,18D,19D,20D,22D,23D,24D;7D,8D,10D,11D,18D,19D,20D,21D,23D,24D.

What are the key properties of 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenyldibenzothiophen-2-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,5,6,7,11,12,16,17,18,19-decadeuterio-9-phenyl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]carbazole;2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-4-yl]phenyl]-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine?

4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenyldibenzothiophen-2-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,5,6,7,11,12,16,17,18,19-decadeuterio-9-phenyl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]carbazole;2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-4-yl]phenyl]-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine has a molecular weight of 3269.59 g/mol, XLogP of 59.91, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenyldibenzothiophen-2-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,5,6,7,11,12,16,17,18,19-decadeuterio-9-phenyl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]carbazole;2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-4-yl]phenyl]-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164957427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).