C219H170N8 — CID 162089462
9-[3-[7-(3-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;9-[3-[7-(3-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]carbazole;9-[3-[7'-(3-carbazol-9-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-yl]phenyl]carbazole;9-[3-[7'-(3-carbazol-9-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole (PubChem CID 162089462) has the molecular formula C219H170N8 and a molecular weight of 2913.82 g/mol. Its IUPAC name is 9-[3-[7-(3-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;9-[3-[7-(3-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]carbazole;9-[3-[7'-(3-carbazol-9-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-yl]phenyl]carbazole;9-[3-[7'-(3-carbazol-9-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole.
| Compound Name | 9-[3-[7-(3-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;9-[3-[7-(3-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]carbazole;9-[3-[7'-(3-carbazol-9-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-yl]phenyl]carbazole;9-[3-[7'-(3-carbazol-9-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 162089462 |
| Molecular Formula | C219H170N8 |
| Molecular Weight | 2913.82 g/mol |
| Exact Mass | 2911.35 |
| IUPAC Name | 9-[3-[7-(3-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;9-[3-[7-(3-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]carbazole;9-[3-[7'-(3-carbazol-9-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-yl]phenyl]carbazole;9-[3-[7'-(3-carbazol-9-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole |
| SMILES | CC1(C)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc21.CCCCCCC1(CCCCCC)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc21.c1cc(-c2ccc3c(c2)C2(CCCC2)c2cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc2-3)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc3c(c2)C2(CCCCC2)c2cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc2-3)cc(-n2c3ccccc3c3ccccc32)c1 |
| InChI | InChI=1S/C61H56N2.C54H40N2.C53H38N2.C51H36N2/c1-3-5-7-17-37-61(38-18-8-6-4-2)55-41-45(43-21-19-23-47(39-43)62-57-29-13-9-25-51(57)52-26-10-14-30-58(52)62)33-35-49(55)50-36-34-46(42-56(50)61)44-22-20-24-48(40-44)63-59-31-15-11-27-53(59)54-28-12-16-32-60(54)63;1-10-30-54(31-11-1)48-34-38(36-14-12-16-40(32-36)55-50-22-6-2-18-44(50)45-19-3-7-23-51(45)55)26-28-42(48)43-29-27-39(35-49(43)54)37-15-13-17-41(33-37)56-52-24-8-4-20-46(52)47-21-5-9-25-53(47)56;1-5-21-49-43(17-1)44-18-2-6-22-50(44)54(49)39-15-11-13-35(31-39)37-25-27-41-42-28-26-38(34-48(42)53(47(41)33-37)29-9-10-30-53)36-14-12-16-40(32-36)55-51-23-7-3-19-45(51)46-20-4-8-24-52(46)55;1-51(2)45-31-35(33-13-11-15-37(29-33)52-47-21-7-3-17-41(47)42-18-4-8-22-48(42)52)25-27-39(45)40-28-26-36(32-46(40)51)34-14-12-16-38(30-34)53-49-23-9-5-19-43(49)44-20-6-10-24-50(44)53/h9-16,19-36,39-42H,3-8,17-18,37-38H2,1-2H3;2-9,12-29,32-35H,1,10-11,30-31H2;1-8,11-28,31-34H,9-10,29-30H2;3-32H,1-2H3 |
| InChIKey | ZDKFGHMHDLEBJK-UHFFFAOYSA-N |
| XLogP | 59.44 |
| TPSA | 39.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 227 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2913.82 |
| LogP ≤ 5 | 59.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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