C236H164F6N10O2Si4 — CID 158374257
7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane (PubChem CID 158374257) has the molecular formula C236H164F6N10O2Si4 and a molecular weight of 3398.31 g/mol. Its IUPAC name is 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane.
| Compound Name | 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane |
|---|---|
| PubChem CID | 158374257 |
| Molecular Formula | C236H164F6N10O2Si4 |
| Molecular Weight | 3398.31 g/mol |
| Exact Mass | 3395.20 |
| IUPAC Name | 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane |
| SMILES | COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3c2cnc2ccccc23)cc1.C[Si](C)(C)c1ccc(-c2c3ccccc3c(-c3ccc([Si](C)(C)C)cc3)c3c2cnc2ccccc23)cc1.FC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3c2cnc2ccccc23)cc1.N#Cc1ccc(-c2c3ccccc3c(-c3ccc(C#N)cc3)c3c2cnc2ccccc23)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c4c3cnc3ccccc34)cc2)cc1.c1ccc2c(-c3c4ccccc4c(-c4c5ccccc5nc5ccccc45)c4c3cnc3ccccc34)c3ccccc3nc2c1 |
| InChI | InChI=1S/C65H47NSi2.C43H25N3.C35H35NSi2.C31H17F6N.C31H17N3.C31H23NO2/c1-7-23-50(24-8-1)67(51-25-9-2-10-26-51,52-27-11-3-12-28-52)56-43-39-48(40-44-56)63-58-35-19-20-36-59(58)64(65-60-37-21-22-38-62(60)66-47-61(63)65)49-41-45-57(46-42-49)68(53-29-13-4-14-30-53,54-31-15-5-16-32-54)55-33-17-6-18-34-55;1-2-14-27-26(13-1)39(40-29-16-4-9-21-35(29)45-36-22-10-5-17-30(36)40)33-25-44-34-20-8-3-15-28(34)42(33)43(27)41-31-18-6-11-23-37(31)46-38-24-12-7-19-32(38)41;1-37(2,3)26-19-15-24(16-20-26)33-28-11-7-8-12-29(28)34(25-17-21-27(22-18-25)38(4,5)6)35-30-13-9-10-14-32(30)36-23-31(33)35;32-30(33,34)20-13-9-18(10-14-20)27-22-5-1-2-6-23(22)28(19-11-15-21(16-12-19)31(35,36)37)29-24-7-3-4-8-26(24)38-17-25(27)29;32-17-20-9-13-22(14-10-20)29-24-5-1-2-6-25(24)30(23-15-11-21(18-33)12-16-23)31-26-7-3-4-8-28(26)34-19-27(29)31;1-33-22-15-11-20(12-16-22)29-24-7-3-4-8-25(24)30(21-13-17-23(34-2)18-14-21)31-26-9-5-6-10-28(26)32-19-27(29)31/h1-47H;1-25H;7-23H,1-6H3;1-17H;1-16,19H;3-19H,1-2H3 |
| InChIKey | GUZRBFAECNHULZ-UHFFFAOYSA-N |
| XLogP | 56.30 |
| TPSA | 169.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 258 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3398.31 |
| LogP ≤ 5 | 56.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
|---|