C180H122N6Si — CID 165095571
[6-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane;1,2,3,4,5,6,7-heptadeuterio-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;1,2,3,4-tetradeuterio-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole (PubChem CID 165095571) has the molecular formula C180H122N6Si and a molecular weight of 2453.43 g/mol. Its IUPAC name is [6-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane;1,2,3,4,5,6,7-heptadeuterio-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;1,2,3,4-tetradeuterio-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole.
| Compound Name | [6-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane;1,2,3,4,5,6,7-heptadeuterio-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;1,2,3,4-tetradeuterio-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole |
|---|---|
| PubChem CID | 165095571 |
| Molecular Formula | C180H122N6Si |
| Molecular Weight | 2453.43 g/mol |
| Exact Mass | 2451.30 |
| IUPAC Name | [6-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane;1,2,3,4,5,6,7-heptadeuterio-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;1,2,3,4-tetradeuterio-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole |
| SMILES | [2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(-c3cccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc54)c3)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7c([2H])c([2H])c([2H])c([2H])c76)ccc54)c3)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[2H]c1cc2c(c([2H])c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c1 |
| InChI | InChI=1S/C72H50N2Si.2C54H36N2/c1-7-24-51(25-8-1)55-47-64(52-26-9-2-10-27-52)72(65(48-55)53-28-11-3-12-29-53)54-30-23-31-56(46-54)73-70-44-42-57(74-68-40-21-19-38-62(68)63-39-20-22-41-69(63)74)49-66(70)67-50-61(43-45-71(67)73)75(58-32-13-4-14-33-58,59-34-15-5-16-35-59)60-36-17-6-18-37-60;2*1-4-17-37(18-5-1)41-34-47(38-19-6-2-7-20-38)54(48(35-41)39-21-8-3-9-22-39)40-23-16-24-42(33-40)55-52-30-15-12-27-46(52)49-36-43(31-32-53(49)55)56-50-28-13-10-25-44(50)45-26-11-14-29-51(45)56/h1-50H;2*1-36H/i1D,2D,3D,7D,8D,9D,10D,11D,12D,24D,25D,26D,27D,28D,29D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,13D,14D,17D,18D,19D,20D,21D,22D,25D,26D,28D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,13D,17D,18D,19D,20D,21D,22D,25D,28D |
| InChIKey | XLGNHQKMRWSWBS-DTFRHPRYSA-N |
| XLogP | 45.02 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 187 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2453.43 |
| LogP ≤ 5 | 45.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |