C190H164N16O11 — CID 163894173
2,5-diethyl-1,4-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis[4-(N-phenylanilino)phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4-[4-[4-(hydroxymethyl)-N-[4-(hydroxymethyl)phenyl]anilino]phenyl]-1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione (PubChem CID 163894173) has the molecular formula C190H164N16O11 and a molecular weight of 2847.50 g/mol. Its IUPAC name is 2,5-diethyl-1,4-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis[4-(N-phenylanilino)phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4-[4-[4-(hydroxymethyl)-N-[4-(hydroxymethyl)phenyl]anilino]phenyl]-1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione.
| Compound Name | 2,5-diethyl-1,4-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis[4-(N-phenylanilino)phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4-[4-[4-(hydroxymethyl)-N-[4-(hydroxymethyl)phenyl]anilino]phenyl]-1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione |
|---|---|
| PubChem CID | 163894173 |
| Molecular Formula | C190H164N16O11 |
| Molecular Weight | 2847.50 g/mol |
| Exact Mass | 2845.28 |
| IUPAC Name | 2,5-diethyl-1,4-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis[4-(N-phenylanilino)phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4-[4-[4-(hydroxymethyl)-N-[4-(hydroxymethyl)phenyl]anilino]phenyl]-1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione |
| SMILES | CCN1C(=O)C2=C(c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)N(CC)C(=O)C2=C1c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.CN1C(=O)C2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)N(C)C(=O)C2=C1c1ccc(N(c2ccccc2)c2ccccc2)cc1.COc1ccc(N(c2ccc(C)cc2)c2ccc(C3=C4C(=O)N(C)C(c5ccc(N(c6ccc(CO)cc6)c6ccc(CO)cc6)cc5)=C4C(=O)N3C)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3=C4C(=O)N(C)C(c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)=C4C(=O)N3C)cc2)cc1 |
| InChI | InChI=1S/C50H46N4O2.C48H42N4O5.C48H42N4O2.C44H34N4O2/c1-7-51-47(37-17-29-43(30-18-37)53(39-21-9-33(3)10-22-39)40-23-11-34(4)12-24-40)45-46(49(51)55)48(52(8-2)50(45)56)38-19-31-44(32-20-38)54(41-25-13-35(5)14-26-41)42-27-15-36(6)16-28-42;1-31-5-15-36(16-6-31)51(41-25-27-42(57-4)28-26-41)39-21-11-34(12-22-39)45-43-44(48(56)49(45)2)46(50(3)47(43)55)35-13-23-40(24-14-35)52(37-17-7-32(29-53)8-18-37)38-19-9-33(30-54)10-20-38;1-31-7-19-37(20-8-31)51(38-21-9-32(2)10-22-38)41-27-15-35(16-28-41)45-43-44(48(54)49(45)5)46(50(6)47(43)53)36-17-29-42(30-18-36)52(39-23-11-33(3)12-24-39)40-25-13-34(4)14-26-40;1-45-41(31-23-27-37(28-24-31)47(33-15-7-3-8-16-33)34-17-9-4-10-18-34)39-40(43(45)49)42(46(2)44(39)50)32-25-29-38(30-26-32)48(35-19-11-5-12-20-35)36-21-13-6-14-22-36/h9-32H,7-8H2,1-6H3;5-28,53-54H,29-30H2,1-4H3;7-30H,1-6H3;3-30H,1-2H3 |
| InChIKey | QEDMLWZSFVGJKF-UHFFFAOYSA-N |
| XLogP | 41.32 |
| TPSA | 238.09 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 217 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2847.50 |
| LogP ≤ 5 | 41.32 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'} |
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