C192H136F6N14O2 — CID 159342575
5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 159342575) has the molecular formula C192H136F6N14O2 and a molecular weight of 2785.28 g/mol. Its IUPAC name is 5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine.
| Compound Name | 5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine |
|---|---|
| PubChem CID | 159342575 |
| Molecular Formula | C192H136F6N14O2 |
| Molecular Weight | 2785.28 g/mol |
| Exact Mass | 2783.09 |
| IUPAC Name | 5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine |
| SMILES | COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3cnccc23)cc1.FC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3cnccc23)cc1.N#Cc1ccc(-c2c3ccccc3c(-c3ccc(C#N)cc3)c3cnccc23)cc1.c1ccc2c(c1)CCCN2c1c2ccccc2c(N2CCCc3ccccc32)c2cnccc12.c1ccc2c(c1)CCc1ccccc1N2c1c2ccccc2c(N2c3ccccc3CCc3ccccc32)c2cnccc12.c1ccc2c(c1)Cc1ccccc1N2c1c2ccccc2c(N2c3ccccc3Cc3ccccc32)c2cnccc12 |
| InChI | InChI=1S/C41H31N3.C39H27N3.C31H27N3.C27H15F6N.C27H15N3.C27H21NO2/c1-7-17-36-28(11-1)21-22-29-12-2-8-18-37(29)43(36)40-32-15-5-6-16-33(32)41(35-27-42-26-25-34(35)40)44-38-19-9-3-13-30(38)23-24-31-14-4-10-20-39(31)44;1-7-17-34-26(11-1)23-27-12-2-8-18-35(27)41(34)38-30-15-5-6-16-31(30)39(33-25-40-22-21-32(33)38)42-36-19-9-3-13-28(36)24-29-14-4-10-20-37(29)42;1-5-15-28-22(9-1)11-7-19-33(28)30-24-13-3-4-14-25(24)31(27-21-32-18-17-26(27)30)34-20-8-12-23-10-2-6-16-29(23)34;28-26(29,30)18-9-5-16(6-10-18)24-20-3-1-2-4-21(20)25(23-15-34-14-13-22(23)24)17-7-11-19(12-8-17)27(31,32)33;28-15-18-5-9-20(10-6-18)26-22-3-1-2-4-23(22)27(25-17-30-14-13-24(25)26)21-11-7-19(16-29)8-12-21;1-29-20-11-7-18(8-12-20)26-22-5-3-4-6-23(22)27(25-17-28-16-15-24(25)26)19-9-13-21(30-2)14-10-19/h1-20,25-27H,21-24H2;1-22,25H,23-24H2;1-6,9-10,13-18,21H,7-8,11-12,19-20H2;1-15H;1-14,17H;3-17H,1-2H3 |
| InChIKey | LGHUZBLKGJJWSW-UHFFFAOYSA-N |
| XLogP | 50.18 |
| TPSA | 162.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 214 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2785.28 |
| LogP ≤ 5 | 50.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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