C255H163N35O2S — CID 158386739
11-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine;N,N-diphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-6-yl)phenoxazin-3-amine;7-(10-phenylphenazin-5-yl)-10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthroline;11-phenyl-6-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline;10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenothiazine (PubChem CID 158386739) has the molecular formula C255H163N35O2S and a molecular weight of 3781.42 g/mol. Its IUPAC name is 11-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine;N,N-diphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-6-yl)phenoxazin-3-amine;7-(10-phenylphenazin-5-yl)-10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthroline;11-phenyl-6-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline;10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenothiazine.
| Compound Name | 11-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine;N,N-diphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-6-yl)phenoxazin-3-amine;7-(10-phenylphenazin-5-yl)-10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthroline;11-phenyl-6-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline;10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenothiazine |
|---|---|
| PubChem CID | 158386739 |
| Molecular Formula | C255H163N35O2S |
| Molecular Weight | 3781.42 g/mol |
| Exact Mass | 3778.34 |
| IUPAC Name | 11-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine;N,N-diphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-6-yl)phenoxazin-3-amine;7-(10-phenylphenazin-5-yl)-10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthroline;11-phenyl-6-(10-phenylphenazin-5-yl)pyrazino[2,3-f][1,10]phenanthroline;10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenothiazine |
| SMILES | CC1(C)c2ccccc2N(c2cnc3c(c2)c2nccnc2c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cnc23)c2ccccc21.c1ccc(-c2ccc3c4nccnc4c4cc(N5c6ccccc6Oc6cc(N(c7ccccc7)c7ccccc7)ccc65)cnc4c3n2)cc1.c1ccc(-c2cccc(-c3ccc4c5nccnc5c5ccc(N6c7ccccc7N(c7ccccc7)c7ccccc76)nc5c4n3)c2)cc1.c1ccc(-c2cccc(-c3ccc4c5nccnc5c5ccc(N6c7ccccc7Sc7ccccc76)nc5c4n3)c2)cc1.c1ccc(-c2cnc3c(c2)c2nccnc2c2cc(N4c5ccccc5N(c5ccccc5)c5ccccc54)cnc23)cc1.c1ccc(-c2cnc3c(c2)c2nccnc2c2ccc(N4c5ccccc5Oc5cc(N(c6ccccc6)c6ccccc6)ccc54)nc23)cc1 |
| InChI | InChI=1S/C47H32N6.2C44H28N6O.C44H28N6.C38H24N6.C38H23N5S/c1-47(2)37-13-5-9-17-41(37)53(42-18-10-6-14-38(42)47)32-26-36-44-43(48-23-24-49-44)35-25-30(27-50-45(35)46(36)51-28-32)29-19-21-31(22-20-29)52-39-15-7-3-11-33(39)34-12-4-8-16-40(34)52;1-4-12-29(13-5-1)36-22-21-34-41-42(46-25-24-45-41)35-26-33(28-47-43(35)44(34)48-36)50-37-18-10-11-19-39(37)51-40-27-32(20-23-38(40)50)49(30-14-6-2-7-15-30)31-16-8-3-9-17-31;1-4-12-29(13-5-1)30-26-35-42-41(45-24-25-46-42)34-21-23-40(48-44(34)43(35)47-28-30)50-36-18-10-11-19-38(36)51-39-27-33(20-22-37(39)50)49(31-14-6-2-7-15-31)32-16-8-3-9-17-32;1-3-12-29(13-4-1)30-14-11-15-31(28-30)35-24-22-33-41-42(46-27-26-45-41)34-23-25-40(48-44(34)43(33)47-35)50-38-20-9-7-18-36(38)49(32-16-5-2-6-17-32)37-19-8-10-21-39(37)50;1-3-11-25(12-4-1)26-21-29-35-36(40-20-19-39-35)30-22-28(24-42-38(30)37(29)41-23-26)44-33-17-9-7-15-31(33)43(27-13-5-2-6-14-27)32-16-8-10-18-34(32)44;1-2-9-24(10-3-1)25-11-8-12-26(23-25)29-19-17-27-35-36(40-22-21-39-35)28-18-20-34(42-38(28)37(27)41-29)43-30-13-4-6-15-32(30)44-33-16-7-5-14-31(33)43/h3-28H,1-2H3;2*1-28H;1-28H;1-24H;1-23H |
| InChIKey | GWLNTJVQENSASD-UHFFFAOYSA-N |
| XLogP | 65.43 |
| TPSA | 365.15 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 293 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3781.42 |
| LogP ≤ 5 | 65.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 38 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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