C176H112N12 — CID 159929715
2,3-dinaphthalen-2-yl-10-(4-phenylphenyl)imidazo[1,2-f]phenanthridine;2,3-dinaphthalen-2-yl-11-(4-phenylphenyl)imidazo[1,2-f]phenanthridine;10-(6-naphthalen-2-ylnaphthalen-2-yl)-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine;11-(4-phenylphenyl)-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine (PubChem CID 159929715) has the molecular formula C176H112N12 and a molecular weight of 2394.92 g/mol. Its IUPAC name is 2,3-dinaphthalen-2-yl-10-(4-phenylphenyl)imidazo[1,2-f]phenanthridine;2,3-dinaphthalen-2-yl-11-(4-phenylphenyl)imidazo[1,2-f]phenanthridine;10-(6-naphthalen-2-ylnaphthalen-2-yl)-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine;11-(4-phenylphenyl)-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine.
| Compound Name | 2,3-dinaphthalen-2-yl-10-(4-phenylphenyl)imidazo[1,2-f]phenanthridine;2,3-dinaphthalen-2-yl-11-(4-phenylphenyl)imidazo[1,2-f]phenanthridine;10-(6-naphthalen-2-ylnaphthalen-2-yl)-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine;11-(4-phenylphenyl)-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine |
|---|---|
| PubChem CID | 159929715 |
| Molecular Formula | C176H112N12 |
| Molecular Weight | 2394.92 g/mol |
| Exact Mass | 2392.91 |
| IUPAC Name | 2,3-dinaphthalen-2-yl-10-(4-phenylphenyl)imidazo[1,2-f]phenanthridine;2,3-dinaphthalen-2-yl-11-(4-phenylphenyl)imidazo[1,2-f]phenanthridine;10-(6-naphthalen-2-ylnaphthalen-2-yl)-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine;11-(4-phenylphenyl)-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine |
| SMILES | c1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3n3c(-c5ccc6ccccc6c5)c(-c5ccc6ccccc6c5)nc43)cc2)cc1.c1ccc(-c2ccc(-c3ccc4c5ccccc5n5c(-c6ccc7ccccc7c6)c(-c6ccc7ccccc7c6)nc5c4c3)cc2)cc1.c1ccc(-c2ccc(-c3ccc4c5ccccc5n5c(-c6ccccn6)c(-c6ccccn6)nc5c4c3)cc2)cc1.c1ccc(-c2nc3c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4c4ccccc4n3c2-c2ccccn2)nc1 |
| InChI | InChI=1S/2C47H30N2.C45H28N4.C37H24N4/c1-2-10-31(11-3-1)34-18-20-35(21-19-34)38-26-27-41-42-16-8-9-17-44(42)49-46(40-25-23-33-13-5-7-15-37(33)29-40)45(48-47(49)43(41)30-38)39-24-22-32-12-4-6-14-36(32)28-39;1-2-10-31(11-3-1)34-18-20-35(21-19-34)38-26-27-42-43(30-38)41-16-8-9-17-44(41)49-46(40-25-23-33-13-5-7-15-37(33)29-40)45(48-47(42)49)39-24-22-32-12-4-6-14-36(32)28-39;1-2-10-30-25-31(16-15-29(30)9-1)32-17-18-34-27-35(20-19-33(34)26-32)36-21-22-38-39(28-36)37-11-3-4-14-42(37)49-44(41-13-6-8-24-47-41)43(48-45(38)49)40-12-5-7-23-46-40;1-2-10-25(11-3-1)26-16-18-27(19-17-26)28-20-21-29-30-12-4-5-15-34(30)41-36(33-14-7-9-23-39-33)35(32-13-6-8-22-38-32)40-37(41)31(29)24-28/h2*1-30H;1-28H;1-24H |
| InChIKey | NZMDDLMFDWTRFT-UHFFFAOYSA-N |
| XLogP | 45.73 |
| TPSA | 120.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 188 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2394.92 |
| LogP ≤ 5 | 45.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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