C222H180N10O20 — CID 157165524
3,6-bis(10-tert-butyl-9,9-dimethylacridin-2-yl)furo[3,2-b]furan-2,5-dione;3,6-bis[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]furo[3,2-b]furan-2,5-dione;3,6-bis[4-(N-methylanilino)phenyl]furo[3,2-b]furan-2,5-dione;3,6-bis[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]furo[3,2-b]furan-2,5-dione;3,6-bis(9,9,10-trimethylacridin-2-yl)furo[3,2-b]furan-2,5-dione (PubChem CID 157165524) has the molecular formula C222H180N10O20 and a molecular weight of 3307.93 g/mol. Its IUPAC name is 3,6-bis(10-tert-butyl-9,9-dimethylacridin-2-yl)furo[3,2-b]furan-2,5-dione;3,6-bis[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]furo[3,2-b]furan-2,5-dione;3,6-bis[4-(N-methylanilino)phenyl]furo[3,2-b]furan-2,5-dione;3,6-bis[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]furo[3,2-b]furan-2,5-dione;3,6-bis(9,9,10-trimethylacridin-2-yl)furo[3,2-b]furan-2,5-dione.
| Compound Name | 3,6-bis(10-tert-butyl-9,9-dimethylacridin-2-yl)furo[3,2-b]furan-2,5-dione;3,6-bis[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]furo[3,2-b]furan-2,5-dione;3,6-bis[4-(N-methylanilino)phenyl]furo[3,2-b]furan-2,5-dione;3,6-bis[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]furo[3,2-b]furan-2,5-dione;3,6-bis(9,9,10-trimethylacridin-2-yl)furo[3,2-b]furan-2,5-dione |
|---|---|
| PubChem CID | 157165524 |
| Molecular Formula | C222H180N10O20 |
| Molecular Weight | 3307.93 g/mol |
| Exact Mass | 3305.34 |
| IUPAC Name | 3,6-bis(10-tert-butyl-9,9-dimethylacridin-2-yl)furo[3,2-b]furan-2,5-dione;3,6-bis[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]furo[3,2-b]furan-2,5-dione;3,6-bis[4-(N-methylanilino)phenyl]furo[3,2-b]furan-2,5-dione;3,6-bis[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]furo[3,2-b]furan-2,5-dione;3,6-bis(9,9,10-trimethylacridin-2-yl)furo[3,2-b]furan-2,5-dione |
| SMILES | CC1(C)c2ccccc2N(C(C)(C)C)c2ccc(C3=C4OC(=O)C(c5ccc6c(c5)C(C)(C)c5ccccc5N6C(C)(C)C)=C4OC3=O)cc21.CN(c1ccccc1)c1ccc(C2=C3OC(=O)C(c4ccc(N(C)c5ccccc5)cc4)=C3OC2=O)cc1.CN1c2ccccc2C(C)(C)c2cc(C3=C4OC(=O)C(c5ccc6c(c5)C(C)(C)c5ccccc5N6C)=C4OC3=O)ccc21.Cc1cc(C)cc(N(c2ccc(C3=C4OC(=O)C(c5ccc(N(c6cc(C)cc(C)c6)c6cc(C)cc(C)c6)cc5)=C4OC3=O)cc2)c2cc(C)cc(C)c2)c1.O=C1OC2=C(c3ccc(N(c4ccc5ccccc5c4)c4cccc5ccccc45)cc3)C(=O)OC2=C1c1ccc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)cc1 |
| InChI | InChI=1S/C58H36N2O4.C50H44N2O4.C44H44N2O4.C38H32N2O4.C32H24N2O4/c61-57-53(41-25-29-45(30-26-41)59(47-33-23-37-11-1-3-15-43(37)35-47)51-21-9-17-39-13-5-7-19-49(39)51)55-56(64-57)54(58(62)63-55)42-27-31-46(32-28-42)60(48-34-24-38-12-2-4-16-44(38)36-48)52-22-10-18-40-14-6-8-20-50(40)52;1-29-17-30(2)22-41(21-29)51(42-23-31(3)18-32(4)24-42)39-13-9-37(10-14-39)45-47-48(56-49(45)53)46(50(54)55-47)38-11-15-40(16-12-38)52(43-25-33(5)19-34(6)26-43)44-27-35(7)20-36(8)28-44;1-41(2,3)45-31-17-13-11-15-27(31)43(7,8)29-23-25(19-21-33(29)45)35-37-38(50-39(35)47)36(40(48)49-37)26-20-22-34-30(24-26)44(9,10)28-16-12-14-18-32(28)46(34)42(4,5)6;1-37(2)23-11-7-9-13-27(23)39(5)29-17-15-21(19-25(29)37)31-33-34(44-35(31)41)32(36(42)43-33)22-16-18-30-26(20-22)38(3,4)24-12-8-10-14-28(24)40(30)6;1-33(23-9-5-3-6-10-23)25-17-13-21(14-18-25)27-29-30(38-31(27)35)28(32(36)37-29)22-15-19-26(20-16-22)34(2)24-11-7-4-8-12-24/h1-36H;9-28H,1-8H3;11-24H,1-10H3;7-20H,1-6H3;3-20H,1-2H3 |
| InChIKey | AMWCDHPUTRTBAU-UHFFFAOYSA-N |
| XLogP | 51.07 |
| TPSA | 295.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 252 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3307.93 |
| LogP ≤ 5 | 51.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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