C218H173N23 — CID 165003539
10-[2,4-bis(9,9-dimethylacridin-10-yl)-6-[4-(1-methylbenzimidazol-2-yl)phenyl]-3,5-diphenylphenyl]-9,9-dimethylacridine;5-[3-[2,3-bis(1-methylbenzimidazol-2-yl)-5,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]phenyl]-10-methylphenazine;10-[4-(9,9-dimethylacridin-10-yl)-2,5-bis[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-9,9-dimethylacridine (PubChem CID 165003539) has the molecular formula C218H173N23 and a molecular weight of 3114.94 g/mol. Its IUPAC name is 10-[2,4-bis(9,9-dimethylacridin-10-yl)-6-[4-(1-methylbenzimidazol-2-yl)phenyl]-3,5-diphenylphenyl]-9,9-dimethylacridine;5-[3-[2,3-bis(1-methylbenzimidazol-2-yl)-5,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]phenyl]-10-methylphenazine;10-[4-(9,9-dimethylacridin-10-yl)-2,5-bis[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-9,9-dimethylacridine.
| Compound Name | 10-[2,4-bis(9,9-dimethylacridin-10-yl)-6-[4-(1-methylbenzimidazol-2-yl)phenyl]-3,5-diphenylphenyl]-9,9-dimethylacridine;5-[3-[2,3-bis(1-methylbenzimidazol-2-yl)-5,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]phenyl]-10-methylphenazine;10-[4-(9,9-dimethylacridin-10-yl)-2,5-bis[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-9,9-dimethylacridine |
|---|---|
| PubChem CID | 165003539 |
| Molecular Formula | C218H173N23 |
| Molecular Weight | 3114.94 g/mol |
| Exact Mass | 3112.42 |
| IUPAC Name | 10-[2,4-bis(9,9-dimethylacridin-10-yl)-6-[4-(1-methylbenzimidazol-2-yl)phenyl]-3,5-diphenylphenyl]-9,9-dimethylacridine;5-[3-[2,3-bis(1-methylbenzimidazol-2-yl)-5,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]phenyl]-10-methylphenazine;10-[4-(9,9-dimethylacridin-10-yl)-2,5-bis[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-9,9-dimethylacridine |
| SMILES | CN1c2ccccc2N(c2cccc(-c3cc(-c4nc5ccccc5n4C)c(-c4nc5ccccc5n4C)c(-c4cccc(N5c6ccccc6N(C)c6ccccc65)c4)c3-c3cccc(N4c5ccccc5N(C)c5ccccc54)c3)c2)c2ccccc21.Cn1c(-c2ccc(-c3c(-c4ccccc4)c(N4c5ccccc5C(C)(C)c5ccccc54)c(-c4ccccc4)c(N4c5ccccc5C(C)(C)c5ccccc54)c3N3c4ccccc4C(C)(C)c4ccccc43)cc2)nc2ccccc21.Cn1c(-c2cccc(-c3cc(N4c5ccccc5C(C)(C)c5ccccc54)c(-c4cccc(-c5nc6cccnc6n5C)c4)cc3N3c4ccccc4C(C)(C)c4ccccc43)c2)nc2cccnc21 |
| InChI | InChI=1S/C79H60N10.C77H63N5.C62H50N8/c1-82-63-35-10-16-41-69(63)87(70-42-17-11-36-64(70)82)54-28-22-25-51(47-54)57-50-58(78-80-59-31-6-8-33-61(59)85(78)4)77(79-81-60-32-7-9-34-62(60)86(79)5)76(53-27-24-30-56(49-53)89-73-45-20-14-39-67(73)84(3)68-40-15-21-46-74(68)89)75(57)52-26-23-29-55(48-52)88-71-43-18-12-37-65(71)83(2)66-38-13-19-44-72(66)88;1-75(2)54-32-14-21-39-61(54)80(62-40-22-15-33-55(62)75)71-68(50-28-10-8-11-29-50)69(52-46-48-53(49-47-52)74-78-60-38-20-27-45-67(60)79(74)7)72(81-63-41-23-16-34-56(63)76(3,4)57-35-17-24-42-64(57)81)73(70(71)51-30-12-9-13-31-51)82-65-43-25-18-36-58(65)77(5,6)59-37-19-26-44-66(59)82;1-61(2)45-23-7-11-29-51(45)69(52-30-12-8-24-46(52)61)55-37-44(40-20-16-22-42(36-40)58-66-50-28-18-34-64-60(50)68(58)6)56(70-53-31-13-9-25-47(53)62(3,4)48-26-10-14-32-54(48)70)38-43(55)39-19-15-21-41(35-39)57-65-49-27-17-33-63-59(49)67(57)5/h6-50H,1-5H3;8-49H,1-7H3;7-38H,1-6H3 |
| InChIKey | IPSZMAXVGCGYOE-UHFFFAOYSA-N |
| XLogP | 56.15 |
| TPSA | 150.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 241 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3114.94 |
| LogP ≤ 5 | 56.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |