C270H184N14 — CID 160572919
9-[3-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole;2-[4-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-[5-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-2-pyridinyl]quinoline;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-pyridin-4-ylpyridine (PubChem CID 160572919) has the molecular formula C270H184N14 and a molecular weight of 3624.54 g/mol. Its IUPAC name is 9-[3-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole;2-[4-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-[5-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-2-pyridinyl]quinoline;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-pyridin-4-ylpyridine.
| Compound Name | 9-[3-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole;2-[4-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-[5-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-2-pyridinyl]quinoline;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-pyridin-4-ylpyridine |
|---|---|
| PubChem CID | 160572919 |
| Molecular Formula | C270H184N14 |
| Molecular Weight | 3624.54 g/mol |
| Exact Mass | 3621.48 |
| IUPAC Name | 9-[3-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole;2-[4-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-[5-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-2-pyridinyl]quinoline;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-pyridin-4-ylpyridine |
| SMILES | C1=c2c(-c3ccc4ccccc4c3)c3ccc(-c4ccc(-c5cnc6ccccc6c5)nc4)cc3c(-c3ccc4ccccc4c3)c2=CCC1.CC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccccn5)cc4)cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccc(c1)c2c34.c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cncc(-c6ccncc6)c5)ccc4c3)c3ccccc23)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1.c1ccc2cc(-c3nc(-c4ccc(-c5cccc6cccnc56)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1 |
| InChI | InChI=1S/C53H34N2.C49H36N2.C48H32N2.C42H32N2.C40H26N2.C38H24N4/c1-2-16-44(17-3-1)55-50-21-11-10-20-49(50)54-53(55)38-26-22-37(23-27-38)41-30-31-47-48(34-41)52(43-29-25-36-13-5-7-15-40(36)33-43)46-19-9-8-18-45(46)51(47)42-28-24-35-12-4-6-14-39(35)32-42;1-49(2,3)36-27-34-22-24-40-42(31-18-20-32(21-19-31)44-15-8-9-26-50-44)30-43(41-25-23-35(28-36)47(34)48(40)41)33-11-10-12-37(29-33)51-45-16-6-4-13-38(45)39-14-5-7-17-46(39)51;1-3-11-33-25-37(19-17-31(33)9-1)47-41-14-6-7-15-42(41)48(38-20-18-32-10-2-4-12-34(32)26-38)44-28-35(21-23-43(44)47)39-22-24-46(49-29-39)40-27-36-13-5-8-16-45(36)50-30-40;1-42(2,3)33-24-31-18-20-34-36(27-10-14-29(15-11-27)38-8-4-6-22-43-38)26-37(35-21-19-32(25-33)40(31)41(34)35)28-12-16-30(17-13-28)39-9-5-7-23-44-39;1-2-8-28(9-3-1)39-35-10-4-6-12-37(35)40(38-13-7-5-11-36(38)39)32-17-16-29-22-31(15-14-30(29)23-32)34-24-33(25-42-26-34)27-18-20-41-21-19-27;1-3-9-30-23-32(20-14-25(30)7-1)37-40-36(41-38(42-37)33-21-15-26-8-2-4-10-31(26)24-33)29-18-16-27(17-19-29)34-13-5-11-28-12-6-22-39-35(28)34/h1-34H;4-30H,1-3H3;1-5,8-30H,6-7H2;4-26H,1-3H3;1-26H;1-24H |
| InChIKey | RATWQNCHZJNQTD-UHFFFAOYSA-N |
| XLogP | 70.13 |
| TPSA | 164.54 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 284 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3624.54 |
| LogP ≤ 5 | 70.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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