C400H240N16 — CID 160860839
2-benzo[k]fluoranthen-3-yl-5-pyridin-3-ylbenzo[b]carbazole;10-benzo[k]fluoranthen-3-yl-7-pyridin-3-ylbenzo[c]carbazole;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-11-pyridin-2-ylbenzo[a]carbazole;5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-11-pyridin-2-ylbenzo[a]carbazole;5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-11-pyridin-3-ylbenzo[a]carbazole;5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-11-pyridin-4-ylbenzo[a]carbazole;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-pyridin-3-ylbenzo[b]carbazole;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-7-pyridin-3-ylbenzo[c]carbazole (PubChem CID 160860839) has the molecular formula C400H240N16 and a molecular weight of 5270.43 g/mol. Its IUPAC name is 2-benzo[k]fluoranthen-3-yl-5-pyridin-3-ylbenzo[b]carbazole;10-benzo[k]fluoranthen-3-yl-7-pyridin-3-ylbenzo[c]carbazole;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-11-pyridin-2-ylbenzo[a]carbazole;5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-11-pyridin-2-ylbenzo[a]carbazole;5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-11-pyridin-3-ylbenzo[a]carbazole;5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-11-pyridin-4-ylbenzo[a]carbazole;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-pyridin-3-ylbenzo[b]carbazole;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-7-pyridin-3-ylbenzo[c]carbazole.
| Compound Name | 2-benzo[k]fluoranthen-3-yl-5-pyridin-3-ylbenzo[b]carbazole;10-benzo[k]fluoranthen-3-yl-7-pyridin-3-ylbenzo[c]carbazole;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-11-pyridin-2-ylbenzo[a]carbazole;5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-11-pyridin-2-ylbenzo[a]carbazole;5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-11-pyridin-3-ylbenzo[a]carbazole;5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-11-pyridin-4-ylbenzo[a]carbazole;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-pyridin-3-ylbenzo[b]carbazole;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-7-pyridin-3-ylbenzo[c]carbazole |
|---|---|
| PubChem CID | 160860839 |
| Molecular Formula | C400H240N16 |
| Molecular Weight | 5270.43 g/mol |
| Exact Mass | 5265.93 |
| IUPAC Name | 2-benzo[k]fluoranthen-3-yl-5-pyridin-3-ylbenzo[b]carbazole;10-benzo[k]fluoranthen-3-yl-7-pyridin-3-ylbenzo[c]carbazole;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-11-pyridin-2-ylbenzo[a]carbazole;5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-11-pyridin-2-ylbenzo[a]carbazole;5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-11-pyridin-3-ylbenzo[a]carbazole;5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-11-pyridin-4-ylbenzo[a]carbazole;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-pyridin-3-ylbenzo[b]carbazole;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-7-pyridin-3-ylbenzo[c]carbazole |
| SMILES | c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cc5c6ccccc6n(-c6ccccn6)c5c5ccccc45)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cc5c6ccccc6n(-c6cccnc6)c5c5ccccc45)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cc5c6ccccc6n(-c6ccncc6)c5c5ccccc45)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc5c(ccc6c5c5ccccc5n6-c5cccnc5)c4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc5c(ccc6c7ccccc7n(-c7ccccn7)c56)c4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc5cc6c(cc5c4)c4ccccc4n6-c4cccnc4)c4cccc-3c24)cc1.c1cncc(-n2c3ccc(-c4ccc5c6c(cccc46)-c4cc6ccccc6cc4-5)cc3c3c4ccccc4ccc32)c1.c1cncc(-n2c3ccc(-c4ccc5c6c(cccc46)-c4cc6ccccc6cc4-5)cc3c3cc4ccccc4cc32)c1 |
| InChI | InChI=1S/6C53H32N2.2C41H24N2/c1-3-15-33(16-4-1)48-40-22-8-9-23-41(40)49(34-17-5-2-6-18-34)52-44-29-28-37(39-25-13-26-43(50(39)44)51(48)52)45-31-46-38-21-11-12-27-47(38)55(35-19-14-30-54-32-35)53(46)42-24-10-7-20-36(42)45;1-3-16-33(17-4-1)48-39-22-8-9-23-40(39)49(34-18-5-2-6-19-34)52-43-30-29-36(38-25-15-26-42(50(38)43)51(48)52)44-32-45-37-21-11-12-27-46(37)55(47-28-13-14-31-54-47)53(45)41-24-10-7-20-35(41)44;1-3-14-33(15-4-1)48-40-20-8-9-21-41(40)49(34-16-5-2-6-17-34)52-44-27-26-37(39-23-13-24-43(50(39)44)51(48)52)45-32-46-38-19-11-12-25-47(38)55(35-28-30-54-31-29-35)53(46)42-22-10-7-18-36(42)45;1-3-13-33(14-4-1)49-42-19-7-8-20-43(42)50(34-15-5-2-6-16-34)53-45-27-26-39(41-21-11-22-44(51(41)45)52(49)53)36-25-24-35-31-48-46(30-37(35)29-36)40-18-9-10-23-47(40)55(48)38-17-12-28-54-32-38;1-3-13-33(14-4-1)48-41-18-7-8-19-42(41)49(34-15-5-2-6-16-34)53-45-28-27-38(40-21-11-22-44(50(40)45)52(48)53)35-24-26-39-36(31-35)25-29-47-51(39)43-20-9-10-23-46(43)55(47)37-17-12-30-54-32-37;1-3-14-33(15-4-1)48-41-19-7-8-20-42(41)49(34-16-5-2-6-17-34)52-45-30-29-37(40-21-13-22-44(50(40)45)51(48)52)35-25-27-38-36(32-35)26-28-43-39-18-9-10-23-46(39)55(53(38)43)47-24-11-12-31-54-47;1-2-9-27-22-36-34-17-16-30(32-12-5-13-33(40(32)34)35(36)21-26(27)8-1)28-15-18-38-37(23-28)41-31-11-4-3-7-25(31)14-19-39(41)43(38)29-10-6-20-42-24-29;1-2-8-26-20-36-34-16-15-31(32-12-5-13-33(41(32)34)35(36)19-25(26)7-1)29-14-17-39-37(22-29)38-21-27-9-3-4-10-28(27)23-40(38)43(39)30-11-6-18-42-24-30/h6*1-32H;2*1-24H |
| InChIKey | SKLQBPOHYXYBQV-UHFFFAOYSA-N |
| XLogP | 107.63 |
| TPSA | 142.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 416 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5270.43 |
| LogP ≤ 5 | 107.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |