C171H114N6 — CID 157266640
9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-3-amine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenyl-9-(9-phenylcarbazol-2-yl)fluoren-3-amine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-2-yl-N-phenyl-9-(9-phenylcarbazol-4-yl)fluoren-3-amine (PubChem CID 157266640) has the molecular formula C171H114N6 and a molecular weight of 2273.96 g/mol. Its IUPAC name is 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-3-amine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenyl-9-(9-phenylcarbazol-2-yl)fluoren-3-amine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-2-yl-N-phenyl-9-(9-phenylcarbazol-4-yl)fluoren-3-amine.
| Compound Name | 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-3-amine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenyl-9-(9-phenylcarbazol-2-yl)fluoren-3-amine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-2-yl-N-phenyl-9-(9-phenylcarbazol-4-yl)fluoren-3-amine |
|---|---|
| PubChem CID | 157266640 |
| Molecular Formula | C171H114N6 |
| Molecular Weight | 2273.96 g/mol |
| Exact Mass | 2272.04 |
| IUPAC Name | 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-3-amine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenyl-9-(9-phenylcarbazol-2-yl)fluoren-3-amine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-2-yl-N-phenyl-9-(9-phenylcarbazol-4-yl)fluoren-3-amine |
| SMILES | [2H]c1c([2H])c([2H])c2c([2H])c(C3(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc4-c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc43)c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c([2H])c(C3(c4cccc5c4c4ccccc4n5-c4ccccc4)c4ccccc4-c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc43)c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c([2H])c(C3(c4cccc5c6ccccc6n(-c6ccccc6)c45)c4ccccc4-c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc43)c([2H])c([2H])c2c1[2H] |
| InChI | InChI=1S/3C57H38N2/c1-3-20-44(21-4-1)58(46-33-31-40-17-8-10-19-42(40)37-46)47-34-35-52-50(38-47)48-24-11-13-26-51(48)57(52,43-32-30-39-16-7-9-18-41(39)36-43)53-27-15-29-55-56(53)49-25-12-14-28-54(49)59(55)45-22-5-2-6-23-45;1-3-21-43(22-4-1)58(54-32-15-20-40-18-9-10-25-46(40)54)45-35-36-52-50(38-45)47-26-11-13-29-51(47)57(52,42-34-33-39-17-7-8-19-41(39)37-42)53-30-16-28-49-48-27-12-14-31-55(48)59(56(49)53)44-23-5-2-6-24-44;1-3-20-44(21-4-1)58(54-29-15-19-40-17-9-10-24-47(40)54)46-33-35-53-51(38-46)48-25-11-13-27-52(48)57(53,42-31-30-39-16-7-8-18-41(39)36-42)43-32-34-50-49-26-12-14-28-55(49)59(56(50)37-43)45-22-5-2-6-23-45/h3*1-38H/i7D,9D,16D,18D,30D,32D,36D;7D,8D,17D,19D,33D,34D,37D;7D,8D,16D,18D,30D,31D,36D |
| InChIKey | AYBMOJLRJOXSOX-FPFUVIPGSA-N |
| XLogP | 44.77 |
| TPSA | 24.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 177 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2273.96 |
| LogP ≤ 5 | 44.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |