C313H196N14 — CID 159797153
7-(4-carbazol-9-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine;10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,3-diphenylimidazo[1,2-f]phenanthridine;2,3-diphenyl-10-pyren-1-ylimidazo[1,2-f]phenanthridine;2,3-diphenyl-10-quinolin-2-ylimidazo[1,2-f]phenanthridine;10-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine (PubChem CID 159797153) has the molecular formula C313H196N14 and a molecular weight of 4153.11 g/mol. Its IUPAC name is 7-(4-carbazol-9-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine;10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,3-diphenylimidazo[1,2-f]phenanthridine;2,3-diphenyl-10-pyren-1-ylimidazo[1,2-f]phenanthridine;2,3-diphenyl-10-quinolin-2-ylimidazo[1,2-f]phenanthridine;10-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine.
| Compound Name | 7-(4-carbazol-9-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine;10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,3-diphenylimidazo[1,2-f]phenanthridine;2,3-diphenyl-10-pyren-1-ylimidazo[1,2-f]phenanthridine;2,3-diphenyl-10-quinolin-2-ylimidazo[1,2-f]phenanthridine;10-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine |
|---|---|
| PubChem CID | 159797153 |
| Molecular Formula | C313H196N14 |
| Molecular Weight | 4153.11 g/mol |
| Exact Mass | 4149.58 |
| IUPAC Name | 7-(4-carbazol-9-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine;10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,3-diphenylimidazo[1,2-f]phenanthridine;2,3-diphenyl-10-pyren-1-ylimidazo[1,2-f]phenanthridine;2,3-diphenyl-10-quinolin-2-ylimidazo[1,2-f]phenanthridine;10-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine |
| SMILES | c1ccc(-c2nc3c4ccc(-c5ccc(-c6ccc7c(-c8ccc9ccccc9c8)c8ccccc8c(-c8ccc9ccccc9c8)c7c6)cc5)cc4c4ccccc4n3c2-c2ccccc2)cc1.c1ccc(-c2nc3c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4c4ccccc4n3c2-c2ccccc2)cc1.c1ccc(-c2nc3c4ccc(-c5ccc6c(-c7cccc8ccccc78)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4c4ccccc4n3c2-c2ccccc2)cc1.c1ccc(-c2nc3c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4c4ccccc4n3c2-c2ccccc2)cc1.c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6n5)cc4c4ccccc4n3c2-c2ccccc2)cc1.c1ccc(-c2nc3c4ccccc4c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc4n3c2-c2ccccc2)cc1 |
| InChI | InChI=1S/C67H42N2.2C61H38N2.C45H29N3.C43H26N2.C36H23N3/c1-3-17-47(18-4-1)65-66(48-19-5-2-6-20-48)69-62-26-14-13-23-55(62)60-41-51(36-38-59(60)67(69)68-65)45-27-29-46(30-28-45)52-35-37-58-61(42-52)64(54-34-32-44-16-8-10-22-50(44)40-54)57-25-12-11-24-56(57)63(58)53-33-31-43-15-7-9-21-49(43)39-53;1-3-17-41(18-4-1)59-60(42-19-5-2-6-20-42)63-56-26-14-13-23-49(56)54-37-45(32-34-53(54)61(63)62-59)46-31-33-52-55(38-46)58(48-30-28-40-16-8-10-22-44(40)36-48)51-25-12-11-24-50(51)57(52)47-29-27-39-15-7-9-21-43(39)35-47;1-3-18-41(19-4-1)59-60(42-20-5-2-6-21-42)63-56-29-14-13-25-48(56)54-37-44(33-35-53(54)61(63)62-59)45-32-34-52-55(38-45)57(46-31-30-39-16-7-8-22-43(39)36-46)50-26-11-12-27-51(50)58(52)49-28-15-23-40-17-9-10-24-47(40)49;1-3-13-31(14-4-1)43-44(32-15-5-2-6-16-32)48-42-28-25-33(29-39(42)35-17-7-8-20-38(35)45(48)46-43)30-23-26-34(27-24-30)47-40-21-11-9-18-36(40)37-19-10-12-22-41(37)47;1-3-10-30(11-4-1)41-42(31-12-5-2-6-13-31)45-38-17-8-7-16-34(38)37-26-32(22-25-36(37)43(45)44-41)33-23-20-29-19-18-27-14-9-15-28-21-24-35(33)40(29)39(27)28;1-3-12-25(13-4-1)34-35(26-14-5-2-6-15-26)39-33-18-10-8-16-28(33)30-23-27(19-21-29(30)36(39)38-34)32-22-20-24-11-7-9-17-31(24)37-32/h1-42H;2*1-38H;1-29H;1-26H;1-23H |
| InChIKey | NJHXIBKJHVOWPF-UHFFFAOYSA-N |
| XLogP | 83.90 |
| TPSA | 121.62 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 327 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4153.11 |
| LogP ≤ 5 | 83.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |