C156H99N9 — CID 159391615
5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole (PubChem CID 159391615) has the molecular formula C156H99N9 and a molecular weight of 2099.57 g/mol. Its IUPAC name is 5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole.
| Compound Name | 5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 159391615 |
| Molecular Formula | C156H99N9 |
| Molecular Weight | 2099.57 g/mol |
| Exact Mass | 2097.80 |
| IUPAC Name | 5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole |
| SMILES | c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3c4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc5n(-c5ccccc5)c4c32)cc1 |
| InChI | InChI=1S/3C52H33N3/c1-3-15-38(16-4-1)54-48-22-12-9-19-41(48)43-27-28-44-46-33-37(25-30-50(46)55(52(44)51(43)54)39-17-5-2-6-18-39)36-24-29-49-45(32-36)42-20-10-11-21-47(42)53(49)40-26-23-34-13-7-8-14-35(34)31-40;1-3-15-38(16-4-1)53-49-29-25-37(33-45(49)51-50(53)30-27-43-41-19-9-12-22-47(41)55(52(43)51)39-17-5-2-6-18-39)36-24-28-48-44(32-36)42-20-10-11-21-46(42)54(48)40-26-23-34-13-7-8-14-35(34)31-40;1-3-15-38(16-4-1)53-46-22-12-10-20-42(46)51-49(53)29-30-50-52(51)44-33-37(25-28-48(44)54(50)39-17-5-2-6-18-39)36-24-27-47-43(32-36)41-19-9-11-21-45(41)55(47)40-26-23-34-13-7-8-14-35(34)31-40/h3*1-33H |
| InChIKey | LMELGKITZZLLBE-UHFFFAOYSA-N |
| XLogP | 41.39 |
| TPSA | 44.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 165 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2099.57 |
| LogP ≤ 5 | 41.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |