12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole;7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[1,2-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole

C372H232N32O8S4 — CID 167709786

IUPAC12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole;7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[1,2-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6cc7c(cc65)-c5ccccc5C7(C)C)cccc34)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)oc3c(-n5c6ccccc6c6cc7c(cc65)C(C)(C)c5ccccc5-7)cccc34)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)oc3c(-n5c6ccccc6c6cc7c(cc65)sc5ccccc57)cccc34)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)oc3c(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)cccc34)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)oc3c(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C7(C)C)cccc34)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)oc3c(-n5c6ccccc6c6ccc7c(c65)C(C)(C)c5ccccc5-7)cccc34)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)oc3c(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)cccc34)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)oc3c(-n5c6ccccc6c6ccc7sc8ccccc8c7c65)cccc34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H]
InChIInChI=1S/4C48H32N4O.4C45H26N4OS/c1-48(2)37-21-11-9-19-36(37)42-38(48)27-26-34-32-18-10-12-22-39(32)52(43(34)42)40-23-13-20-35-33-25-24-31(28-41(33)53-44(35)40)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-48(2)38-21-11-9-18-32(38)36-28-42-37(27-39(36)48)33-19-10-12-22-40(33)52(42)41-23-13-20-35-34-25-24-31(26-43(34)53-44(35)41)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-48(2)38-21-11-9-18-32(38)36-27-37-33-19-10-12-22-40(33)52(42(37)28-39(36)48)41-23-13-20-35-34-25-24-31(26-43(34)53-44(35)41)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-48(2)38-21-11-9-18-32(38)35-26-27-36-33-19-10-12-22-39(33)52(43(36)42(35)48)40-23-13-20-37-34-25-24-31(28-41(34)53-44(37)40)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-31-33-18-11-20-37(42(33)50-39(31)24-29)49-36-19-9-7-16-30(36)34-26-41-35(25-38(34)49)32-17-8-10-21-40(32)51-41;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-31-33-18-11-20-37(42(33)50-39(31)24-29)49-36-19-9-7-16-30(36)34-25-35-32-17-8-10-21-40(32)51-41(35)26-38(34)49;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-31-33-18-11-20-36(42(33)50-37(31)26-29)49-35-19-9-7-16-30(35)32-24-25-39-40(41(32)49)34-17-8-10-21-38(34)51-39;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-31-34-18-11-20-37(41(34)50-38(31)26-29)49-36-19-9-7-16-30(36)33-24-25-35-32-17-8-10-21-39(32)51-42(35)40(33)49/h4*3-28H,1-2H3;4*1-26H/i4*3D,4D,5D,6D,7D,8D,14D,15D,16D,17D;4*1D,2D,3D,4D,5D,6D,12D,13D,14D,15D
InChIKeyZQNODBOJVKBODC-LSKXPJFYSA-N
MW5486.92 g/mol
LogP97.65
Rot. Bonds32

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

12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole;7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[1,2-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 167709786) has the molecular formula C372H232N32O8S4 and a molecular weight of 5486.92 g/mol. Its IUPAC name is 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole;7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[1,2-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole;7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[1,2-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID167709786
Molecular FormulaC372H232N32O8S4
Molecular Weight5486.92 g/mol
Exact Mass5482.26
IUPAC Name12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole;7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[1,2-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6cc7c(cc65)-c5ccccc5C7(C)C)cccc34)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)oc3c(-n5c6ccccc6c6cc7c(cc65)C(C)(C)c5ccccc5-7)cccc34)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)oc3c(-n5c6ccccc6c6cc7c(cc65)sc5ccccc57)cccc34)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)oc3c(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)cccc34)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)oc3c(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C7(C)C)cccc34)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)oc3c(-n5c6ccccc6c6ccc7c(c65)C(C)(C)c5ccccc5-7)cccc34)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)oc3c(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)cccc34)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)oc3c(-n5c6ccccc6c6ccc7sc8ccccc8c7c65)cccc34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H]
InChIInChI=1S/4C48H32N4O.4C45H26N4OS/c1-48(2)37-21-11-9-19-36(37)42-38(48)27-26-34-32-18-10-12-22-39(32)52(43(34)42)40-23-13-20-35-33-25-24-31(28-41(33)53-44(35)40)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-48(2)38-21-11-9-18-32(38)36-28-42-37(27-39(36)48)33-19-10-12-22-40(33)52(42)41-23-13-20-35-34-25-24-31(26-43(34)53-44(35)41)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-48(2)38-21-11-9-18-32(38)36-27-37-33-19-10-12-22-40(33)52(42(37)28-39(36)48)41-23-13-20-35-34-25-24-31(26-43(34)53-44(35)41)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-48(2)38-21-11-9-18-32(38)35-26-27-36-33-19-10-12-22-39(33)52(43(36)42(35)48)40-23-13-20-37-34-25-24-31(28-41(34)53-44(37)40)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-31-33-18-11-20-37(42(33)50-39(31)24-29)49-36-19-9-7-16-30(36)34-26-41-35(25-38(34)49)32-17-8-10-21-40(32)51-41;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-31-33-18-11-20-37(42(33)50-39(31)24-29)49-36-19-9-7-16-30(36)34-25-35-32-17-8-10-21-40(32)51-41(35)26-38(34)49;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-31-33-18-11-20-36(42(33)50-37(31)26-29)49-35-19-9-7-16-30(35)32-24-25-39-40(41(32)49)34-17-8-10-21-38(34)51-39;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-31-34-18-11-20-37(41(34)50-38(31)26-29)49-36-19-9-7-16-30(36)33-24-25-35-32-17-8-10-21-39(32)51-42(35)40(33)49/h4*3-28H,1-2H3;4*1-26H/i4*3D,4D,5D,6D,7D,8D,14D,15D,16D,17D;4*1D,2D,3D,4D,5D,6D,12D,13D,14D,15D
InChIKeyZQNODBOJVKBODC-LSKXPJFYSA-N
XLogP97.65
TPSA453.92 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds32
Heavy Atoms416
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005486.92
LogP ≤ 597.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole;7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[1,2-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole with MolForge

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What is the IUPAC name of 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole;7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[1,2-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole;7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[1,2-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole (CID 167709786) is 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole;7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[1,2-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole;7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[1,2-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole;7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[1,2-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6cc7c(cc65)-c5ccccc5C7(C)C)cccc34)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)oc3c(-n5c6ccccc6c6cc7c(cc65)C(C)(C)c5ccccc5-7)cccc34)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)oc3c(-n5c6ccccc6c6cc7c(cc65)sc5ccccc57)cccc34)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)oc3c(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)cccc34)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)oc3c(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C7(C)C)cccc34)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)oc3c(-n5c6ccccc6c6ccc7c(c65)C(C)(C)c5ccccc5-7)cccc34)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)oc3c(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)cccc34)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)oc3c(-n5c6ccccc6c6ccc7sc8ccccc8c7c65)cccc34)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]dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole;7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[1,2-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is ZQNODBOJVKBODC-LSKXPJFYSA-N. The full InChI is InChI=1S/4C48H32N4O.4C45H26N4OS/c1-48(2)37-21-11-9-19-36(37)42-38(48)27-26-34-32-18-10-12-22-39(32)52(43(34)42)40-23-13-20-35-33-25-24-31(28-41(33)53-44(35)40)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-48(2)38-21-11-9-18-32(38)36-28-42-37(27-39(36)48)33-19-10-12-22-40(33)52(42)41-23-13-20-35-34-25-24-31(26-43(34)53-44(35)41)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-48(2)38-21-11-9-18-32(38)36-27-37-33-19-10-12-22-40(33)52(42(37)28-39(36)48)41-23-13-20-35-34-25-24-31(26-43(34)53-44(35)41)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-48(2)38-21-11-9-18-32(38)35-26-27-36-33-19-10-12-22-39(33)52(43(36)42(35)48)40-23-13-20-37-34-25-24-31(28-41(34)53-44(37)40)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-31-33-18-11-20-37(42(33)50-39(31)24-29)49-36-19-9-7-16-30(36)34-26-41-35(25-38(34)49)32-17-8-10-21-40(32)51-41;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-31-33-18-11-20-37(42(33)50-39(31)24-29)49-36-19-9-7-16-30(36)34-25-35-32-17-8-10-21-40(32)51-41(35)26-38(34)49;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-31-33-18-11-20-36(42(33)50-37(31)26-29)49-35-19-9-7-16-30(35)32-24-25-39-40(41(32)49)34-17-8-10-21-38(34)51-39;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-31-34-18-11-20-37(41(34)50-38(31)26-29)49-36-19-9-7-16-30(36)33-24-25-35-32-17-8-10-21-39(32)51-42(35)40(33)49/h4*3-28H,1-2H3;4*1-26H/i4*3D,4D,5D,6D,7D,8D,14D,15D,16D,17D;4*1D,2D,3D,4D,5D,6D,12D,13D,14D,15D.
What are the key properties of 12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole;7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[1,2-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole?
12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole;7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[1,2-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 5486.92 g/mol, XLogP of 97.65, 32 rotatable bonds, 0 hydrogen bond donors, and 44 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]dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole;7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[1,2-a]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 167709786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).