C154H96N18 — CID 157167377
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-naphthalen-2-ylindolo[2,3-b]carbazole;7-naphthalen-2-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indolo[2,3-b]carbazole;7-naphthalen-2-yl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-b]carbazole (PubChem CID 157167377) has the molecular formula C154H96N18 and a molecular weight of 2198.59 g/mol. Its IUPAC name is 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-naphthalen-2-ylindolo[2,3-b]carbazole;7-naphthalen-2-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indolo[2,3-b]carbazole;7-naphthalen-2-yl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-b]carbazole.
| Compound Name | 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-naphthalen-2-ylindolo[2,3-b]carbazole;7-naphthalen-2-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indolo[2,3-b]carbazole;7-naphthalen-2-yl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-b]carbazole |
|---|---|
| PubChem CID | 157167377 |
| Molecular Formula | C154H96N18 |
| Molecular Weight | 2198.59 g/mol |
| Exact Mass | 2196.81 |
| IUPAC Name | 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-naphthalen-2-ylindolo[2,3-b]carbazole;7-naphthalen-2-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indolo[2,3-b]carbazole;7-naphthalen-2-yl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-b]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccnc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccc9ccccc9c8)c7cc65)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccc8ccccc8c7)c6cc54)nc3)n2)cc1.c1ccc(-c2nc(-c3ccnc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccc8ccccc8c7)c6cc54)c3)nc(-c3cccc4ccccc34)n2)cc1 |
| InChI | InChI=1S/C54H34N6.C52H32N6.C48H30N6/c1-3-13-35(14-4-1)37-23-25-39(26-24-37)53-56-52(38-16-5-2-6-17-38)57-54(58-53)41-29-30-55-51(32-41)60-48-22-12-10-20-44(48)46-33-45-43-19-9-11-21-47(43)59(49(45)34-50(46)60)42-28-27-36-15-7-8-18-40(36)31-42;1-2-15-35(16-3-1)50-54-51(56-52(55-50)42-22-12-18-34-14-6-7-19-39(34)42)37-27-28-53-49(30-37)58-46-24-11-9-21-41(46)44-31-43-40-20-8-10-23-45(40)57(47(43)32-48(44)58)38-26-25-33-13-4-5-17-36(33)29-38;1-3-14-32(15-4-1)46-50-47(33-16-5-2-6-17-33)52-48(51-46)35-24-26-45(49-30-35)54-42-22-12-10-20-38(42)40-28-39-37-19-9-11-21-41(37)53(43(39)29-44(40)54)36-25-23-31-13-7-8-18-34(31)27-36/h1-34H;1-32H;1-30H |
| InChIKey | ANBMKDZBAHQGCG-UHFFFAOYSA-N |
| XLogP | 37.67 |
| TPSA | 184.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 172 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2198.59 |
| LogP ≤ 5 | 37.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |