C221H138N34 — CID 160768811
3-(9H-carbazol-3-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-3-yl]-9-phenylcarbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]-3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-3-yl]carbazole (PubChem CID 160768811) has the molecular formula C221H138N34 and a molecular weight of 3269.77 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-3-yl]-9-phenylcarbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]-3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-3-yl]carbazole.
| Compound Name | 3-(9H-carbazol-3-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-3-yl]-9-phenylcarbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]-3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-3-yl]carbazole |
|---|---|
| PubChem CID | 160768811 |
| Molecular Formula | C221H138N34 |
| Molecular Weight | 3269.77 g/mol |
| Exact Mass | 3267.18 |
| IUPAC Name | 3-(9H-carbazol-3-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-3-yl]-9-phenylcarbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]-3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-3-yl]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3cnc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cn3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cnc(-n4c5ccccc5c5cc(-c6ccc7[nH]c8ccccc8c7c6)ccc54)cn3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cnc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cn3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cnc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cnc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cn6)ccc54)cn3)n2)cc1 |
| InChI | InChI=1S/C67H42N8.C62H38N12.C49H31N7.C43H27N7/c1-5-17-43(18-6-1)65-70-66(44-19-7-2-8-20-44)72-67(71-65)57-41-69-64(42-68-57)75-62-35-31-47(45-29-33-60-53(37-45)51-25-13-15-27-58(51)73(60)49-21-9-3-10-22-49)39-55(62)56-40-48(32-36-63(56)75)46-30-34-61-54(38-46)52-26-14-16-28-59(52)74(61)50-23-11-4-12-24-50;1-5-17-39(18-6-1)57-67-58(40-19-7-2-8-20-40)70-61(69-57)49-35-65-55(37-63-49)73-51-27-15-13-25-45(51)47-33-43(29-31-53(47)73)44-30-32-54-48(34-44)46-26-14-16-28-52(46)74(54)56-38-64-50(36-66-56)62-71-59(41-21-9-3-10-22-41)68-60(72-62)42-23-11-4-12-24-42;1-4-14-32(15-5-1)47-52-48(33-16-6-2-7-17-33)54-49(53-47)41-30-51-46(31-50-41)56-43-23-13-11-21-38(43)40-29-35(25-27-45(40)56)34-24-26-44-39(28-34)37-20-10-12-22-42(37)55(44)36-18-8-3-9-19-36;1-3-11-27(12-4-1)41-47-42(28-13-5-2-6-14-28)49-43(48-41)37-25-45-40(26-44-37)50-38-18-10-8-16-32(38)34-24-30(20-22-39(34)50)29-19-21-36-33(23-29)31-15-7-9-17-35(31)46-36/h1-42H;1-38H;1-31H;1-26,46H |
| InChIKey | RZAPUQRDPYNSQR-UHFFFAOYSA-N |
| XLogP | 51.37 |
| TPSA | 377.48 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 255 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3269.77 |
| LogP ≤ 5 | 51.37 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 33 |