C135H85N13 — CID 157053515
3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole (PubChem CID 157053515) has the molecular formula C135H85N13 and a molecular weight of 1889.26 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole.
| Compound Name | 3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole |
|---|---|
| PubChem CID | 157053515 |
| Molecular Formula | C135H85N13 |
| Molecular Weight | 1889.26 g/mol |
| Exact Mass | 1887.71 |
| IUPAC Name | 3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole |
| SMILES | c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3ccccc32)nc1 |
| InChI | InChI=1S/C53H33N5.2C41H26N4/c1-7-20-44-36(14-1)37-15-2-8-21-45(37)55(44)34-28-30-50-42(32-34)43-33-35(56-46-22-9-3-16-38(46)39-17-4-10-23-47(39)56)29-31-51(43)58(50)53-27-13-26-52(54-53)57-48-24-11-5-18-40(48)41-19-6-12-25-49(41)57;1-6-16-35-29(11-1)30-12-2-7-17-36(30)43(35)27-21-23-40-34(25-27)33-15-5-8-18-37(33)44(40)28-22-24-41(42-26-28)45-38-19-9-3-13-31(38)32-14-4-10-20-39(32)45;1-6-17-34-28(12-1)29-13-2-7-18-35(29)43(34)27-24-25-39-33(26-27)32-16-5-10-21-38(32)45(39)41-23-11-22-40(42-41)44-36-19-8-3-14-30(36)31-15-4-9-20-37(31)44/h1-33H;2*1-26H |
| InChIKey | AAMDXJWYEWEGEK-UHFFFAOYSA-N |
| XLogP | 34.22 |
| TPSA | 87.97 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 148 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1889.26 |
| LogP ≤ 5 | 34.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |