C216H135N3O4 — CID 159084484
2-dibenzofuran-4-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzofuran-4-yl)carbazole;2-(2,8-diphenyldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 159084484) has the molecular formula C216H135N3O4 and a molecular weight of 2836.47 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzofuran-4-yl)carbazole;2-(2,8-diphenyldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.
| Compound Name | 2-dibenzofuran-4-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzofuran-4-yl)carbazole;2-(2,8-diphenyldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 159084484 |
| Molecular Formula | C216H135N3O4 |
| Molecular Weight | 2836.47 g/mol |
| Exact Mass | 2834.05 |
| IUPAC Name | 2-dibenzofuran-4-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzofuran-4-yl)carbazole;2-(2,8-diphenyldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccc(-c6cccc7c6oc6ccccc67)cc54)cc3)c3ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6c(c5)c5cc(-c7cc(-c8ccccc8)cc8c7oc7c(-c9ccccc9)cc(-c9ccccc9)cc78)ccc5n6-c5ccc(-c6ccc7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c6)cc5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2ccc3oc4c(-c5ccc6c7ccccc7n(-c7ccc(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)cc7)c6c5)cc(-c5ccccc5)cc4c3c2)cc1 |
| InChI | InChI=1S/C104H65NO2.C62H39NO.C50H31NO/c1-9-27-66(28-10-1)78-58-86(71-35-17-5-18-36-71)101-93(62-78)95-64-80(68-31-13-3-14-32-68)60-88(103(95)106-101)76-48-53-97-90(56-76)91-57-77(89-61-81(69-33-15-4-16-34-69)65-96-94-63-79(67-29-11-2-12-30-67)59-87(102(94)107-104(89)96)72-37-19-6-20-38-72)49-54-98(91)105(97)82-50-45-70(46-51-82)75-47-52-85-92(55-75)100(74-41-23-8-24-42-74)84-44-26-25-43-83(84)99(85)73-39-21-7-22-40-73;1-4-16-40(17-5-1)44-31-35-59-55(36-44)56-38-46(41-18-6-2-7-19-41)37-54(62(56)64-59)45-30-34-49-48-22-14-15-27-57(48)63(58(49)39-45)47-32-28-43(29-33-47)61-52-25-12-10-23-50(52)60(42-20-8-3-9-21-42)51-24-11-13-26-53(51)61;1-2-13-32(14-3-1)48-40-17-4-6-19-42(40)49(43-20-7-5-18-41(43)48)33-25-28-35(29-26-33)51-45-23-10-8-15-37(45)38-30-27-34(31-46(38)51)36-21-12-22-44-39-16-9-11-24-47(39)52-50(36)44/h1-65H;1-39H;1-31H |
| InChIKey | KBGVFTCWVZHYBD-UHFFFAOYSA-N |
| XLogP | 60.54 |
| TPSA | 67.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 223 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2836.47 |
| LogP ≤ 5 | 60.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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