C178H164N8O7 — CID 157217380
9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[3-(2-ethoxyethoxy)propyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-ethoxyhexyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[3-[2-(2-methoxyethoxy)ethoxy]propyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole (PubChem CID 157217380) has the molecular formula C178H164N8O7 and a molecular weight of 2527.32 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[3-(2-ethoxyethoxy)propyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-ethoxyhexyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[3-[2-(2-methoxyethoxy)ethoxy]propyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole.
| Compound Name | 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[3-(2-ethoxyethoxy)propyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-ethoxyhexyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[3-[2-(2-methoxyethoxy)ethoxy]propyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole |
|---|---|
| PubChem CID | 157217380 |
| Molecular Formula | C178H164N8O7 |
| Molecular Weight | 2527.32 g/mol |
| Exact Mass | 2525.27 |
| IUPAC Name | 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[3-(2-ethoxyethoxy)propyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-ethoxyhexyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[3-[2-(2-methoxyethoxy)ethoxy]propyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole |
| SMILES | CCCCCOCCCCCCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.CCOCCCCCCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.CCOCCOCCCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.COCCOCCOCCCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1 |
| InChI | InChI=1S/C47H46N2O.C44H40N2O3.C44H40N2O.C43H38N2O2/c1-2-3-13-32-50-33-14-5-4-6-15-35-22-31-47-43(34-35)42-18-9-12-21-46(42)49(47)39-29-25-37(26-30-39)36-23-27-38(28-24-36)48-44-19-10-7-16-40(44)41-17-8-11-20-45(41)48;1-47-27-28-49-30-29-48-26-8-9-32-16-25-44-40(31-32)39-12-4-7-15-43(39)46(44)36-23-19-34(20-24-36)33-17-21-35(22-18-33)45-41-13-5-2-10-37(41)38-11-3-6-14-42(38)45;1-2-47-30-12-4-3-5-13-32-20-29-44-40(31-32)39-16-8-11-19-43(39)46(44)36-27-23-34(24-28-36)33-21-25-35(26-22-33)45-41-17-9-6-14-37(41)38-15-7-10-18-42(38)45;1-2-46-28-29-47-27-9-10-31-17-26-43-39(30-31)38-13-5-8-16-42(38)45(43)35-24-20-33(21-25-35)32-18-22-34(23-19-32)44-40-14-6-3-11-36(40)37-12-4-7-15-41(37)44/h7-12,16-31,34H,2-6,13-15,32-33H2,1H3;2-7,10-25,31H,8-9,26-30H2,1H3;6-11,14-29,31H,2-5,12-13,30H2,1H3;3-8,11-26,30H,2,9-10,27-29H2,1H3 |
| InChIKey | ASOPPFXAOBWEFM-UHFFFAOYSA-N |
| XLogP | 45.24 |
| TPSA | 104.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 193 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2527.32 |
| LogP ≤ 5 | 45.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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