C198H137N9 — CID 160657368
9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine (PubChem CID 160657368) has the molecular formula C198H137N9 and a molecular weight of 2663.47 g/mol. Its IUPAC name is 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine.
| Compound Name | 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine |
|---|---|
| PubChem CID | 160657368 |
| Molecular Formula | C198H137N9 |
| Molecular Weight | 2663.47 g/mol |
| Exact Mass | 2661.23 |
| IUPAC Name | 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine |
| SMILES | [2H]c1c([2H])c([2H])c2c(C3(c4cccc5c4c4ccccc4n5-c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccccc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c([2H])c(C3(c4ccc5c6ccccc6n(C)c5c4)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc43)c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c([2H])c(C3(c4cccc5c6ccccc6n(-c6ccccc6)c45)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc43)c([2H])c([2H])c2c1[2H] |
| InChI | InChI=1S/C69H47N3.C65H45N3.C64H45N3/c1-5-24-53(25-6-1)70(54-26-7-2-8-27-54)58-40-42-64-62(46-58)63-47-59(71(55-28-9-3-10-29-55)57-39-37-49-21-14-16-23-51(49)45-57)41-43-65(63)69(64,52-38-36-48-20-13-15-22-50(48)44-52)66-34-19-33-61-60-32-17-18-35-67(60)72(68(61)66)56-30-11-4-12-31-56;1-6-24-47(25-7-1)66(48-26-8-2-9-27-48)52-40-42-59-56(44-52)57-45-53(67(49-28-10-3-11-29-49)50-30-12-4-13-31-50)41-43-60(57)65(59,58-36-20-23-46-22-16-17-34-54(46)58)61-37-21-39-63-64(61)55-35-18-19-38-62(55)68(63)51-32-14-5-15-33-51;1-65-62-28-16-15-27-56(62)57-36-32-49(41-63(57)65)64(48-31-29-44-17-11-13-19-46(44)39-48)60-37-34-54(66(50-21-5-2-6-22-50)51-23-7-3-8-24-51)42-58(60)59-43-55(35-38-61(59)64)67(52-25-9-4-10-26-52)53-33-30-45-18-12-14-20-47(45)40-53/h1-47H;1-45H;2-43H,1H3/i13D,15D,20D,22D,36D,38D,44D;16D,17D,20D,22D,23D,34D,36D;11D,13D,17D,19D,29D,31D,39D |
| InChIKey | RLFKTLOVTOSRLB-ZSPCCMNUSA-N |
| XLogP | 52.57 |
| TPSA | 34.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 207 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2663.47 |
| LogP ≤ 5 | 52.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |