C326H291N15S — CID 160899454
1-[9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine;2-[10-(9,9-dimethylfluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-1,10-phenanthroline;2-[4-[10-(9,9-dimethylfluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]phenyl]-1,3-benzothiazole;1-[9-(9,9-dimethylfluoren-2-yl)-10-fluoranthen-3-yl-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-(9,9-dimethylfluoren-2-yl)-10-perylen-3-yl-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-yl-10-pyren-1-ylanthracen-2-yl]piperidine (PubChem CID 160899454) has the molecular formula C326H291N15S and a molecular weight of 4451.09 g/mol. Its IUPAC name is 1-[9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine;2-[10-(9,9-dimethylfluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-1,10-phenanthroline;2-[4-[10-(9,9-dimethylfluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]phenyl]-1,3-benzothiazole;1-[9-(9,9-dimethylfluoren-2-yl)-10-fluoranthen-3-yl-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-(9,9-dimethylfluoren-2-yl)-10-perylen-3-yl-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-yl-10-pyren-1-ylanthracen-2-yl]piperidine.
| Compound Name | 1-[9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine;2-[10-(9,9-dimethylfluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-1,10-phenanthroline;2-[4-[10-(9,9-dimethylfluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]phenyl]-1,3-benzothiazole;1-[9-(9,9-dimethylfluoren-2-yl)-10-fluoranthen-3-yl-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-(9,9-dimethylfluoren-2-yl)-10-perylen-3-yl-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-yl-10-pyren-1-ylanthracen-2-yl]piperidine |
|---|---|
| PubChem CID | 160899454 |
| Molecular Formula | C326H291N15S |
| Molecular Weight | 4451.09 g/mol |
| Exact Mass | 4447.30 |
| IUPAC Name | 1-[9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine;2-[10-(9,9-dimethylfluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-1,10-phenanthroline;2-[4-[10-(9,9-dimethylfluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]phenyl]-1,3-benzothiazole;1-[9-(9,9-dimethylfluoren-2-yl)-10-fluoranthen-3-yl-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-(9,9-dimethylfluoren-2-yl)-10-perylen-3-yl-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-yl-10-pyren-1-ylanthracen-2-yl]piperidine |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4cc(N5CCCCC5)ccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cc(N5CCCCC5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4cc(N5CCCCC5)ccc4c(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)c4cc(N5CCCCC5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4cc(N5CCCCC5)ccc4c(-c4ccc5ccc6cccc7ccc4c5c67)c4cc(N5CCCCC5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4cc(N5CCCCC5)ccc4c(-c4ccc5ccc6cccnc6c5n4)c4cc(N5CCCCC5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4cc(N5CCCCC5)ccc4c(-c4cccc5c4C(C)(C)c4ccccc4-5)c4cc(N5CCCCC5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccc(N5CCCCC5)cc4c(-c4ccc(-c5nc6ccccc6s5)cc4)c4ccc(N5CCCCC5)cc34)cc21 |
| InChI | InChI=1S/C59H50N2.2C55H48N2.C54H52N2.C52H47N3S.C51H46N4/c1-59(2)53-21-6-5-16-41(53)42-25-22-38(34-54(42)59)56-49-26-23-40(61-32-9-4-10-33-61)36-52(49)58(50-27-24-39(35-51(50)56)60-30-7-3-8-31-60)48-29-28-47-44-18-12-15-37-14-11-17-43(55(37)44)45-19-13-20-46(48)57(45)47;1-55(2)50-19-8-7-16-40(50)41-23-20-35(32-51(41)55)52-46-24-21-37(57-30-11-4-12-31-57)34-49(46)54(47-25-22-36(33-48(47)52)56-28-9-3-10-29-56)45-27-26-44-39-15-6-5-14-38(39)42-17-13-18-43(45)53(42)44;1-55(2)49-15-6-5-14-41(49)42-23-20-38(32-50(42)55)52-45-26-21-40(57-30-9-4-10-31-57)34-48(45)54(46-27-22-39(33-47(46)52)56-28-7-3-8-29-56)44-25-19-37-17-16-35-12-11-13-36-18-24-43(44)53(37)51(35)36;1-53(2)47-20-9-7-16-38(47)40-25-22-35(32-49(40)53)50-41-26-23-37(56-30-13-6-14-31-56)34-46(41)51(42-27-24-36(33-45(42)50)55-28-11-5-12-29-55)44-19-15-18-43-39-17-8-10-21-48(39)54(3,4)52(43)44;1-52(2)45-14-6-5-13-39(45)40-24-21-36(31-46(40)52)50-42-26-23-37(54-27-9-3-10-28-54)32-43(42)49(41-25-22-38(33-44(41)50)55-29-11-4-12-30-55)34-17-19-35(20-18-34)51-53-47-15-7-8-16-48(47)56-51;1-51(2)44-14-6-5-13-38(44)39-21-17-35(30-45(39)51)47-40-22-19-37(55-28-9-4-10-29-55)32-43(40)48(41-23-20-36(31-42(41)47)54-26-7-3-8-27-54)46-24-18-34-16-15-33-12-11-25-52-49(33)50(34)53-46/h5-6,11-29,34-36H,3-4,7-10,30-33H2,1-2H3;5-8,13-27,32-34H,3-4,9-12,28-31H2,1-2H3;5-6,11-27,32-34H,3-4,7-10,28-31H2,1-2H3;7-10,15-27,32-34H,5-6,11-14,28-31H2,1-4H3;5-8,13-26,31-33H,3-4,9-12,27-30H2,1-2H3;5-6,11-25,30-32H,3-4,7-10,26-29H2,1-2H3 |
| InChIKey | SPHORHTULMXYAW-UHFFFAOYSA-N |
| XLogP | 85.11 |
| TPSA | 77.55 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 342 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4451.09 |
| LogP ≤ 5 | 85.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |