C217H140N12 — CID 158354549
2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,4,5-triphenylimidazole;6-phenylpyrido[3,2-f][1,7]phenanthroline (PubChem CID 158354549) has the molecular formula C217H140N12 and a molecular weight of 2915.59 g/mol. Its IUPAC name is 2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,4,5-triphenylimidazole;6-phenylpyrido[3,2-f][1,7]phenanthroline.
| Compound Name | 2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,4,5-triphenylimidazole;6-phenylpyrido[3,2-f][1,7]phenanthroline |
|---|---|
| PubChem CID | 158354549 |
| Molecular Formula | C217H140N12 |
| Molecular Weight | 2915.59 g/mol |
| Exact Mass | 2913.13 |
| IUPAC Name | 2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,4,5-triphenylimidazole;6-phenylpyrido[3,2-f][1,7]phenanthroline |
| SMILES | c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(C5Nc6ccccc6N5c5ccccc5)c4)c4cccc-3c24)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)cc2)cc1.c1ccc(-c2ccc3c4cccnc4c4ncccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)n(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)c2-c2ccccc2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C52H33N3.2C51H34N2.C42H26N2.C21H13N3/c1-3-13-34(14-4-1)36-23-27-38(28-24-36)49-53-50(39-29-25-37(26-30-39)35-15-5-2-6-16-35)55-51(54-49)40-31-32-44-43-19-9-12-22-47(43)52(48(44)33-40)45-20-10-7-17-41(45)42-18-8-11-21-46(42)52;1-4-16-33(17-5-1)46-40-24-10-11-25-41(40)47(34-18-6-2-7-19-34)50-43-31-30-38(39-26-15-27-42(48(39)43)49(46)50)35-20-14-21-36(32-35)51-52-44-28-12-13-29-45(44)53(51)37-22-8-3-9-23-37;1-4-17-37(18-5-1)49-50(38-19-6-2-7-20-38)53(51(52-49)39-21-8-3-9-22-39)42-32-30-36(31-33-42)47-43-24-12-14-26-45(43)48(46-27-15-13-25-44(46)47)41-29-28-35-16-10-11-23-40(35)34-41;1-2-9-32-26-33(22-15-27(32)8-1)40-36-13-5-3-11-34(36)39(35-12-4-6-14-37(35)40)29-18-16-28(17-19-29)38-24-23-31-21-20-30-10-7-25-43-41(30)42(31)44-38;1-2-6-14(7-3-1)18-11-10-16-15-8-4-12-22-20(15)21-17(19(16)24-18)9-5-13-23-21/h1-33H;1-32,51-52H;1-34H;1-26H;1-13H |
| InChIKey | GSSLBFCGWZEORD-UHFFFAOYSA-N |
| XLogP | 56.36 |
| TPSA | 136.21 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 229 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2915.59 |
| LogP ≤ 5 | 56.36 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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