C274H178N18 — CID 158808881
8-[4-(1-ethylbenzimidazol-2-yl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;8-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;8-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;8-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine;6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine (PubChem CID 158808881) has the molecular formula C274H178N18 and a molecular weight of 3722.56 g/mol. Its IUPAC name is 8-[4-(1-ethylbenzimidazol-2-yl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;8-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;8-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;8-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine;6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine.
| Compound Name | 8-[4-(1-ethylbenzimidazol-2-yl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;8-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;8-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;8-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine;6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine |
|---|---|
| PubChem CID | 158808881 |
| Molecular Formula | C274H178N18 |
| Molecular Weight | 3722.56 g/mol |
| Exact Mass | 3719.45 |
| IUPAC Name | 8-[4-(1-ethylbenzimidazol-2-yl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;8-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;8-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;8-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine;6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine |
| SMILES | CCn1c(-c2ccc(-c3cc4c(-c5ccc6ccccc6c5)nc5ccccc5c4c4ccccc34)cc2)nc2ccccc21.CCn1c(-c2ccc(-c3ccc(-c4cc5c(-c6ccc7ccccc7c6)nc6ccccc6c5c5ccccc45)cc3)cc2)nc2ccccc21.c1cc(-c2ccc(-c3cn4ccccc4n3)cc2)cc(-c2cc3c(-c4ccc5ccccc5c4)nc4ccccc4c3c3ccccc23)c1.c1cc(-c2cccc(-c3cc4c(-c5ccc6ccccc6c5)nc5ccccc5c4c4ccccc34)c2)cc(-c2cn3ccccc3n2)c1.c1ccc(-c2cn3cc(-c4cccc(-c5cc6c(-c7ccc8ccccc8c7)nc7ccccc7c6c6ccccc56)c4)ccc3n2)cc1.c1ccc(-c2cn3ccc(-c4cccc(-c5cc6c(-c7ccc8ccccc8c7)nc7ccccc7c6c6ccccc56)c4)cc3n2)cc1 |
| InChI | InChI=1S/C48H33N3.4C46H29N3.C42H29N3/c1-2-51-45-18-10-9-17-44(45)50-48(51)35-26-21-33(22-27-35)32-19-24-34(25-20-32)41-30-42-46(39-14-6-5-13-38(39)41)40-15-7-8-16-43(40)49-47(42)37-28-23-31-11-3-4-12-36(31)29-37;1-2-12-31-27-36(23-22-30(31)11-1)46-41-28-40(37-17-3-4-18-38(37)45(41)39-19-5-6-20-42(39)48-46)34-15-9-13-32(25-34)33-14-10-16-35(26-33)43-29-49-24-8-7-21-44(49)47-43;1-2-11-33-27-36(24-21-30(33)10-1)46-41-28-40(37-14-3-4-15-38(37)45(41)39-16-5-6-17-42(39)48-46)35-13-9-12-34(26-35)31-19-22-32(23-20-31)43-29-49-25-8-7-18-44(49)47-43;1-2-12-31(13-3-1)43-29-49-24-23-34(27-44(49)47-43)33-15-10-16-35(25-33)40-28-41-45(38-18-7-6-17-37(38)40)39-19-8-9-20-42(39)48-46(41)36-22-21-30-11-4-5-14-32(30)26-36;1-2-12-31(13-3-1)43-29-49-28-36(23-24-44(49)47-43)33-15-10-16-34(25-33)40-27-41-45(38-18-7-6-17-37(38)40)39-19-8-9-20-42(39)48-46(41)35-22-21-30-11-4-5-14-32(30)26-35;1-2-45-39-18-10-9-17-38(39)44-42(45)29-22-20-28(21-23-29)35-26-36-40(33-14-6-5-13-32(33)35)34-15-7-8-16-37(34)43-41(36)31-24-19-27-11-3-4-12-30(27)25-31/h3-30H,2H2,1H3;4*1-29H;3-26H,2H2,1H3 |
| InChIKey | IUKQTVUERKUDJA-UHFFFAOYSA-N |
| XLogP | 71.84 |
| TPSA | 182.18 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 292 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3722.56 |
| LogP ≤ 5 | 71.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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