C232H142N8 — CID 158215347
3-[9-(7-fluoranthen-3-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-fluoranthen-3-ylphenanthren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-triphenylen-2-ylnaphthalen-1-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(6-triphenylen-2-ylnaphthalen-2-yl)carbazole (PubChem CID 158215347) has the molecular formula C232H142N8 and a molecular weight of 3041.74 g/mol. Its IUPAC name is 3-[9-(7-fluoranthen-3-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-fluoranthen-3-ylphenanthren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-triphenylen-2-ylnaphthalen-1-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(6-triphenylen-2-ylnaphthalen-2-yl)carbazole.
| Compound Name | 3-[9-(7-fluoranthen-3-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-fluoranthen-3-ylphenanthren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-triphenylen-2-ylnaphthalen-1-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(6-triphenylen-2-ylnaphthalen-2-yl)carbazole |
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| PubChem CID | 158215347 |
| Molecular Formula | C232H142N8 |
| Molecular Weight | 3041.74 g/mol |
| Exact Mass | 3039.14 |
| IUPAC Name | 3-[9-(7-fluoranthen-3-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-fluoranthen-3-ylphenanthren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-triphenylen-2-ylnaphthalen-1-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(6-triphenylen-2-ylnaphthalen-2-yl)carbazole |
| SMILES | c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(ccc6cc(-c7ccc8c9c(cccc79)-c7ccccc7-8)ccc65)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5cc(-c6ccc7c8ccccc8c8ccccc8c7c6)ccc5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c4)ccc32)cc1 |
| InChI | InChI=1S/C60H36N2.2C58H36N2.C56H34N2/c1-2-11-42(12-3-1)61-56-19-8-6-15-49(56)54-35-37(24-31-58(54)61)38-25-32-59-55(36-38)50-16-7-9-20-57(50)62(59)43-26-28-45-41(34-43)22-21-39-33-40(23-27-44(39)45)46-29-30-53-48-14-5-4-13-47(48)52-18-10-17-51(46)60(52)53;1-2-12-43(13-3-1)59-55-20-10-8-18-50(55)53-35-41(26-30-57(53)59)42-27-31-58-54(36-42)51-19-9-11-21-56(51)60(58)44-28-24-38-32-37(22-23-39(38)33-44)40-25-29-49-47-16-5-4-14-45(47)46-15-6-7-17-48(46)52(49)34-40;1-2-14-40(15-3-1)59-54-24-12-10-22-49(54)52-34-37(27-31-57(52)59)38-28-32-58-53(35-38)50-23-11-13-25-55(50)60(58)56-33-30-41(42-16-8-9-21-48(42)56)39-26-29-47-45-19-5-4-17-43(45)44-18-6-7-20-46(44)51(47)36-39;1-2-11-40(12-3-1)57-52-19-8-6-15-45(52)50-33-36(24-29-54(50)57)37-25-30-55-51(34-37)46-16-7-9-20-53(46)58(55)41-26-23-35-21-22-38(31-39(35)32-41)42-27-28-49-44-14-5-4-13-43(44)48-18-10-17-47(42)56(48)49/h1-36H;2*1-36H;1-34H |
| InChIKey | GCOSEJDUDKAUOE-UHFFFAOYSA-N |
| XLogP | 63.15 |
| TPSA | 39.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 240 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3041.74 |
| LogP ≤ 5 | 63.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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