C236H154N20 — CID 159156931
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[1,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,11,11-triphenylindeno[1,2-b]carbazole (PubChem CID 159156931) has the molecular formula C236H154N20 and a molecular weight of 3269.97 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[1,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,11,11-triphenylindeno[1,2-b]carbazole.
| Compound Name | 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[1,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,11,11-triphenylindeno[1,2-b]carbazole |
|---|---|
| PubChem CID | 159156931 |
| Molecular Formula | C236H154N20 |
| Molecular Weight | 3269.97 g/mol |
| Exact Mass | 3267.27 |
| IUPAC Name | 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[1,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,11,11-triphenylindeno[1,2-b]carbazole |
| SMILES | c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4cc2-3)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1 |
| InChI | InChI=1S/C52H34N4.4C46H30N4/c1-6-18-35(19-7-1)38-30-31-41-43-34-48-44(33-46(43)52(45(41)32-38,39-24-12-4-13-25-39)40-26-14-5-15-27-40)42-28-16-17-29-47(42)56(48)51-54-49(36-20-8-2-9-21-36)53-50(55-51)37-22-10-3-11-23-37;1-5-17-31(18-6-1)43-47-44(32-19-7-2-8-20-32)49-45(48-43)50-40-28-16-14-25-35(40)36-29-30-39-41(42(36)50)37-26-13-15-27-38(37)46(39,33-21-9-3-10-22-33)34-23-11-4-12-24-34;1-5-17-31(18-6-1)43-47-44(32-19-7-2-8-20-32)49-45(48-43)50-41-28-16-14-26-36(41)38-29-37-35-25-13-15-27-39(35)46(40(37)30-42(38)50,33-21-9-3-10-22-33)34-23-11-4-12-24-34;1-5-17-31(18-6-1)43-47-44(32-19-7-2-8-20-32)49-45(48-43)50-40-28-16-14-26-36(40)38-30-29-37-35-25-13-15-27-39(35)46(41(37)42(38)50,33-21-9-3-10-22-33)34-23-11-4-12-24-34;1-5-17-31(18-6-1)43-47-44(32-19-7-2-8-20-32)49-45(48-43)50-39-28-16-14-26-36(39)42-40(50)30-29-38-41(42)35-25-13-15-27-37(35)46(38,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-34H;4*1-30H |
| InChIKey | KJZVXVDGANREFV-UHFFFAOYSA-N |
| XLogP | 55.00 |
| TPSA | 218.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 256 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3269.97 |
| LogP ≤ 5 | 55.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |