C187H123N9SSi — CID 157139677
7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine;[4-(2,3-diphenylimidazo[1,2-f]phenanthridin-7-yl)phenyl]-triphenylsilane;2,3-diphenyl-7-[4-(5-phenylthiophen-2-yl)phenyl]imidazo[1,2-f]phenanthridine;10-(6-naphthalen-2-ylnaphthalen-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine (PubChem CID 157139677) has the molecular formula C187H123N9SSi and a molecular weight of 2556.26 g/mol. Its IUPAC name is 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine;[4-(2,3-diphenylimidazo[1,2-f]phenanthridin-7-yl)phenyl]-triphenylsilane;2,3-diphenyl-7-[4-(5-phenylthiophen-2-yl)phenyl]imidazo[1,2-f]phenanthridine;10-(6-naphthalen-2-ylnaphthalen-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine.
| Compound Name | 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine;[4-(2,3-diphenylimidazo[1,2-f]phenanthridin-7-yl)phenyl]-triphenylsilane;2,3-diphenyl-7-[4-(5-phenylthiophen-2-yl)phenyl]imidazo[1,2-f]phenanthridine;10-(6-naphthalen-2-ylnaphthalen-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine |
|---|---|
| PubChem CID | 157139677 |
| Molecular Formula | C187H123N9SSi |
| Molecular Weight | 2556.26 g/mol |
| Exact Mass | 2553.94 |
| IUPAC Name | 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine;[4-(2,3-diphenylimidazo[1,2-f]phenanthridin-7-yl)phenyl]-triphenylsilane;2,3-diphenyl-7-[4-(5-phenylthiophen-2-yl)phenyl]imidazo[1,2-f]phenanthridine;10-(6-naphthalen-2-ylnaphthalen-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine |
| SMILES | c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nc(-c6ccccc6)c(-c6ccccc6)n54)cc3)s2)cc1.c1ccc(-c2nc3c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4c4ccccc4n3c2-c2ccccc2)cc1.c1ccc(-c2nc3c4ccccc4c4cc(-c5ccc(-c6ccc7ccc8ccccc8c7n6)cc5)ccc4n3c2-c2ccccc2)cc1.c1ccc(-c2nc3c4ccccc4c4cc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)ccc4n3c2-c2ccccc2)cc1 |
| InChI | InChI=1S/C51H36N2Si.C47H30N2.C46H29N3.C43H28N2S/c1-6-18-38(19-7-1)49-50(39-20-8-2-9-21-39)53-48-35-32-40(36-47(48)45-28-16-17-29-46(45)51(53)52-49)37-30-33-44(34-31-37)54(41-22-10-3-11-23-41,42-24-12-4-13-25-42)43-26-14-5-15-27-43;1-3-12-32(13-4-1)45-46(33-14-5-2-6-15-33)49-44-18-10-9-17-41(44)43-30-40(25-26-42(43)47(49)48-45)39-24-23-37-28-36(21-22-38(37)29-39)35-20-19-31-11-7-8-16-34(31)27-35;1-3-12-33(13-4-1)44-45(35-14-5-2-6-15-35)49-42-28-26-36(29-40(42)38-17-9-10-18-39(38)46(49)48-44)30-19-22-32(23-20-30)41-27-25-34-24-21-31-11-7-8-16-37(31)43(34)47-41;1-4-12-30(13-5-1)39-26-27-40(46-39)31-22-20-29(21-23-31)34-24-25-38-37(28-34)35-18-10-11-19-36(35)43-44-41(32-14-6-2-7-15-32)42(45(38)43)33-16-8-3-9-17-33/h1-36H;1-30H;1-29H;1-28H |
| InChIKey | AKAWMHZWHCJTQV-UHFFFAOYSA-N |
| XLogP | 46.68 |
| TPSA | 82.09 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 198 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2556.26 |
| LogP ≤ 5 | 46.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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