C172H118N4O2 — CID 160796403
4-(9-dibenzofuran-2-ylfluoren-9-yl)-N,N-diphenylaniline;3-[3-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-9-phenylcarbazole;2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 160796403) has the molecular formula C172H118N4O2 and a molecular weight of 2282.92 g/mol. Its IUPAC name is 4-(9-dibenzofuran-2-ylfluoren-9-yl)-N,N-diphenylaniline;3-[3-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-9-phenylcarbazole;2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-4-amine.
| Compound Name | 4-(9-dibenzofuran-2-ylfluoren-9-yl)-N,N-diphenylaniline;3-[3-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-9-phenylcarbazole;2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-4-amine |
|---|---|
| PubChem CID | 160796403 |
| Molecular Formula | C172H118N4O2 |
| Molecular Weight | 2282.92 g/mol |
| Exact Mass | 2280.99 |
| IUPAC Name | 4-(9-dibenzofuran-2-ylfluoren-9-yl)-N,N-diphenylaniline;3-[3-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-9-phenylcarbazole;2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-4-amine |
| SMILES | [2H]c1c([2H])c([2H])c(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(C5(c6ccc7oc8ccccc8c7c6)c6ccccc6-c6ccccc65)c4)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(C3(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccccc43)cc2)cc1 |
| InChI | InChI=1S/C49H31NO.C43H29NO.C43H31N.C37H27N/c1-2-15-36(16-3-1)50-45-23-10-6-19-39(45)41-30-33(25-27-46(41)50)32-13-12-14-34(29-32)49(43-21-8-4-17-37(43)38-18-5-9-22-44(38)49)35-26-28-48-42(31-35)40-20-7-11-24-47(40)51-48;1-3-13-32(14-4-1)44(33-15-5-2-6-16-33)34-26-23-30(24-27-34)43(39-20-10-7-17-35(39)36-18-8-11-21-40(36)43)31-25-28-42-38(29-31)37-19-9-12-22-41(37)45-42;1-5-16-32(17-6-1)33-28-30-37(31-29-33)44(36-22-11-4-12-23-36)41-27-15-26-40-42(41)38-24-13-14-25-39(38)43(40,34-18-7-2-8-19-34)35-20-9-3-10-21-35;1-4-14-28(15-5-1)37(35-22-12-10-20-33(35)34-21-11-13-23-36(34)37)29-24-26-32(27-25-29)38(30-16-6-2-7-17-30)31-18-8-3-9-19-31/h1-31H;1-29H;1-31H;1-27H/i;;;2D,3D,6D,7D,8D,9D,16D,17D,18D,19D |
| InChIKey | SCMQAMKSSJQWTM-SYHHBLOOSA-N |
| XLogP | 44.84 |
| TPSA | 40.93 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 178 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2282.92 |
| LogP ≤ 5 | 44.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |