C173H133N9 — CID 162131093
2,7-bis(4-carbazol-9-ylphenyl)-10-phenyl-9H-acridine;7-carbazol-9-yl-N-(7-carbazol-9-yl-9H-fluoren-2-yl)-N-phenyl-9H-fluoren-2-amine;ethane;2-N,7-N,7-N-triphenyl-2-N-[7-(N-phenylanilino)-9H-fluoren-2-yl]-9H-fluorene-2,7-diamine (PubChem CID 162131093) has the molecular formula C173H133N9 and a molecular weight of 2338.03 g/mol. Its IUPAC name is 2,7-bis(4-carbazol-9-ylphenyl)-10-phenyl-9H-acridine;7-carbazol-9-yl-N-(7-carbazol-9-yl-9H-fluoren-2-yl)-N-phenyl-9H-fluoren-2-amine;ethane;2-N,7-N,7-N-triphenyl-2-N-[7-(N-phenylanilino)-9H-fluoren-2-yl]-9H-fluorene-2,7-diamine.
| Compound Name | 2,7-bis(4-carbazol-9-ylphenyl)-10-phenyl-9H-acridine;7-carbazol-9-yl-N-(7-carbazol-9-yl-9H-fluoren-2-yl)-N-phenyl-9H-fluoren-2-amine;ethane;2-N,7-N,7-N-triphenyl-2-N-[7-(N-phenylanilino)-9H-fluoren-2-yl]-9H-fluorene-2,7-diamine |
|---|---|
| PubChem CID | 162131093 |
| Molecular Formula | C173H133N9 |
| Molecular Weight | 2338.03 g/mol |
| Exact Mass | 2336.07 |
| IUPAC Name | 2,7-bis(4-carbazol-9-ylphenyl)-10-phenyl-9H-acridine;7-carbazol-9-yl-N-(7-carbazol-9-yl-9H-fluoren-2-yl)-N-phenyl-9H-fluoren-2-amine;ethane;2-N,7-N,7-N-triphenyl-2-N-[7-(N-phenylanilino)-9H-fluoren-2-yl]-9H-fluorene-2,7-diamine |
| SMILES | CC.CC.CC.c1ccc(N(c2ccc3c(c2)Cc2cc(-n4c5ccccc5c5ccccc54)ccc2-3)c2ccc3c(c2)Cc2cc(-n4c5ccccc5c5ccccc54)ccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Cc2cc(N(c4ccccc4)c4ccc5c(c4)Cc4cc(N(c6ccccc6)c6ccccc6)ccc4-5)ccc2-3)cc1.c1ccc(N2c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3Cc3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)cc1 |
| InChI | InChI=1S/C56H37N3.C56H41N3.C55H37N3.3C2H6/c1-2-12-40(13-3-1)57(41-22-26-45-36(32-41)30-38-34-43(24-28-47(38)45)58-53-18-8-4-14-49(53)50-15-5-9-19-54(50)58)42-23-27-46-37(33-42)31-39-35-44(25-29-48(39)46)59-55-20-10-6-16-51(55)52-17-7-11-21-56(52)59;1-6-16-44(17-7-1)57(45-18-8-2-9-19-45)49-26-30-53-40(36-49)34-42-38-51(28-32-55(42)53)59(48-24-14-5-15-25-48)52-29-33-56-43(39-52)35-41-37-50(27-31-54(41)56)58(46-20-10-3-11-21-46)47-22-12-4-13-23-47;1-2-12-43(13-3-1)56-50-32-26-39(37-22-28-44(29-23-37)57-52-18-8-4-14-46(52)47-15-5-9-19-53(47)57)34-41(50)36-42-35-40(27-33-51(42)56)38-24-30-45(31-25-38)58-54-20-10-6-16-48(54)49-17-7-11-21-55(49)58;3*1-2/h1-29,32-35H,30-31H2;1-33,36-39H,34-35H2;1-35H,36H2;3*1-2H3 |
| InChIKey | ZIRDAIBHEYHQFS-UHFFFAOYSA-N |
| XLogP | 47.40 |
| TPSA | 35.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 182 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2338.03 |
| LogP ≤ 5 | 47.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |