C254H161N9 — CID 159727733
9-naphthalen-1-yl-3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazole;3-(10-phenylanthracen-9-yl)-9-triphenylen-2-ylcarbazole;3-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-9-triphenylen-2-ylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole (PubChem CID 159727733) has the molecular formula C254H161N9 and a molecular weight of 3339.14 g/mol. Its IUPAC name is 9-naphthalen-1-yl-3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazole;3-(10-phenylanthracen-9-yl)-9-triphenylen-2-ylcarbazole;3-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-9-triphenylen-2-ylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole.
| Compound Name | 9-naphthalen-1-yl-3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazole;3-(10-phenylanthracen-9-yl)-9-triphenylen-2-ylcarbazole;3-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-9-triphenylen-2-ylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 159727733 |
| Molecular Formula | C254H161N9 |
| Molecular Weight | 3339.14 g/mol |
| Exact Mass | 3336.29 |
| IUPAC Name | 9-naphthalen-1-yl-3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazole;3-(10-phenylanthracen-9-yl)-9-triphenylen-2-ylcarbazole;3-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-9-triphenylen-2-ylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)ccc32)cc1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7ccccc67)cc5)ccc43)cccc2c1 |
| InChI | InChI=1S/C58H36N2.C54H34N2.C50H32N2.C50H31N.C42H28N2/c1-2-14-39(15-3-1)59-55-24-12-10-22-50(55)53-34-37(26-32-57(53)59)41-30-31-42(44-17-5-4-16-43(41)44)38-27-33-58-54(35-38)51-23-11-13-25-56(51)60(58)40-28-29-49-47-20-7-6-18-45(47)46-19-8-9-21-48(46)52(49)36-40;1-2-12-39(13-3-1)55-51-20-10-8-18-46(51)49-32-37(26-30-53(49)55)35-22-24-36(25-23-35)38-27-31-54-50(33-38)47-19-9-11-21-52(47)56(54)40-28-29-45-43-16-5-4-14-41(43)42-15-6-7-17-44(42)48(45)34-40;1-3-15-39-35(11-1)13-9-21-45(39)51-47-19-7-5-17-41(47)43-31-37(27-29-49(43)51)33-23-25-34(26-24-33)38-28-30-50-44(32-38)42-18-6-8-20-48(42)52(50)46-22-10-14-36-12-2-4-16-40(36)46;1-2-14-32(15-3-1)49-41-21-8-10-23-43(41)50(44-24-11-9-22-42(44)49)33-26-29-48-46(30-33)40-20-12-13-25-47(40)51(48)34-27-28-39-37-18-5-4-16-35(37)36-17-6-7-19-38(36)45(39)31-34;1-3-11-33(12-4-1)43-39-17-9-7-15-35(39)37-27-31(23-25-41(37)43)29-19-21-30(22-20-29)32-24-26-42-38(28-32)36-16-8-10-18-40(36)44(42)34-13-5-2-6-14-34/h1-36H;1-34H;1-32H;1-31H;1-28H |
| InChIKey | NAVOSHFIHQMHJG-UHFFFAOYSA-N |
| XLogP | 69.12 |
| TPSA | 44.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 263 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3339.14 |
| LogP ≤ 5 | 69.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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