C174H116N8 — CID 162164191
2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 162164191) has the molecular formula C174H116N8 and a molecular weight of 2318.90 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole.
| Compound Name | 2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole |
|---|---|
| PubChem CID | 162164191 |
| Molecular Formula | C174H116N8 |
| Molecular Weight | 2318.90 g/mol |
| Exact Mass | 2316.93 |
| IUPAC Name | 2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c6c5)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)c2)cc1 |
| InChI | InChI=1S/C48H32N2.3C42H28N2/c1-3-11-33(12-4-1)35-19-25-39(26-20-35)49-46-18-10-8-16-42(46)44-31-37(24-30-47(44)49)38-23-29-43-41-15-7-9-17-45(41)50(48(43)32-38)40-27-21-36(22-28-40)34-13-5-2-6-14-34;1-3-12-29(13-4-1)30-14-11-17-34(26-30)44-39-20-9-7-18-35(39)37-24-22-32(28-42(37)44)31-23-25-41-38(27-31)36-19-8-10-21-40(36)43(41)33-15-5-2-6-16-33;1-3-12-29(13-4-1)30-14-11-17-34(26-30)44-40-21-10-8-19-36(40)38-27-31(23-25-41(38)44)32-22-24-37-35-18-7-9-20-39(35)43(42(37)28-32)33-15-5-2-6-16-33;1-3-11-29(12-4-1)30-19-23-34(24-20-30)43-40-18-10-8-16-36(40)38-27-31(22-26-41(38)43)32-21-25-37-35-15-7-9-17-39(35)44(42(37)28-32)33-13-5-2-6-14-33/h1-32H;3*1-28H |
| InChIKey | ZMXFHJISNCHSKP-UHFFFAOYSA-N |
| XLogP | 46.53 |
| TPSA | 39.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 182 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2318.90 |
| LogP ≤ 5 | 46.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |