C222H142N16 — CID 160746048
5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[5-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]naphthalen-1-yl]indolo[2,3-b]carbazole;7-phenyl-5-[5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]indolo[2,3-b]carbazole;7-phenyl-5-[6-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole (PubChem CID 160746048) has the molecular formula C222H142N16 and a molecular weight of 3033.69 g/mol. Its IUPAC name is 5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[5-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]naphthalen-1-yl]indolo[2,3-b]carbazole;7-phenyl-5-[5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]indolo[2,3-b]carbazole;7-phenyl-5-[6-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole.
| Compound Name | 5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[5-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]naphthalen-1-yl]indolo[2,3-b]carbazole;7-phenyl-5-[5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]indolo[2,3-b]carbazole;7-phenyl-5-[6-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole |
|---|---|
| PubChem CID | 160746048 |
| Molecular Formula | C222H142N16 |
| Molecular Weight | 3033.69 g/mol |
| Exact Mass | 3031.16 |
| IUPAC Name | 5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[5-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]naphthalen-1-yl]indolo[2,3-b]carbazole;7-phenyl-5-[5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]indolo[2,3-b]carbazole;7-phenyl-5-[6-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc4c(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)cccc4c3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5c(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cccc45)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5c(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cccc45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c4ccccc34)n2)cc1 |
| InChI | InChI=1S/C57H37N3.2C56H36N4.C53H33N5/c1-4-17-38(18-5-1)40-21-14-22-41(33-40)51-34-42(39-19-6-2-7-20-39)35-52(58-51)45-28-15-29-46-44(45)27-16-32-55(46)60-54-31-13-11-26-48(54)50-36-49-47-25-10-12-30-53(47)59(56(49)37-57(50)60)43-23-8-3-9-24-43;1-4-16-37(17-5-1)38-30-32-40(33-31-38)56-57-49(39-18-6-2-7-19-39)35-50(58-56)43-25-14-26-44-42(43)24-15-29-53(44)60-52-28-13-11-23-46(52)48-34-47-45-22-10-12-27-51(45)59(54(47)36-55(48)60)41-20-8-3-9-21-41;1-4-17-37(18-5-1)42-24-10-11-25-44(42)50-35-49(38-19-6-2-7-20-38)57-56(58-50)40-31-32-43-39(33-40)21-16-30-51(43)60-53-29-15-13-27-46(53)48-34-47-45-26-12-14-28-52(45)59(54(47)36-55(48)60)41-22-8-3-9-23-41;1-3-16-35(17-4-1)51-54-52(37-28-27-34-15-7-8-18-36(34)31-37)56-53(55-51)43-29-30-48(40-22-10-9-21-39(40)43)58-47-26-14-12-24-42(47)45-32-44-41-23-11-13-25-46(41)57(49(44)33-50(45)58)38-19-5-2-6-20-38/h1-37H;2*1-36H;1-33H |
| InChIKey | RWEXFTVLEAMJTC-UHFFFAOYSA-N |
| XLogP | 57.45 |
| TPSA | 142.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 238 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3033.69 |
| LogP ≤ 5 | 57.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |