C156H117N21O3S3 — CID 159392975
1-[3,5-bis[2-(furan-2-yl)pyrrol-1-yl]phenyl]-2-(furan-2-yl)pyrrole;1-[3,5-bis(2-phenylpyrrol-1-yl)phenyl]-2-phenylpyrrole;1-[3,5-bis(2-pyrrol-1-ylpyrrol-1-yl)phenyl]-2-pyrrol-1-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-2-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-2-yl)pyrrole;1-[3,5-bis(2-thiophen-2-ylpyrrol-1-yl)phenyl]-2-thiophen-2-ylpyrrole (PubChem CID 159392975) has the molecular formula C156H117N21O3S3 and a molecular weight of 2430.00 g/mol. Its IUPAC name is 1-[3,5-bis[2-(furan-2-yl)pyrrol-1-yl]phenyl]-2-(furan-2-yl)pyrrole;1-[3,5-bis(2-phenylpyrrol-1-yl)phenyl]-2-phenylpyrrole;1-[3,5-bis(2-pyrrol-1-ylpyrrol-1-yl)phenyl]-2-pyrrol-1-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-2-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-2-yl)pyrrole;1-[3,5-bis(2-thiophen-2-ylpyrrol-1-yl)phenyl]-2-thiophen-2-ylpyrrole.
| Compound Name | 1-[3,5-bis[2-(furan-2-yl)pyrrol-1-yl]phenyl]-2-(furan-2-yl)pyrrole;1-[3,5-bis(2-phenylpyrrol-1-yl)phenyl]-2-phenylpyrrole;1-[3,5-bis(2-pyrrol-1-ylpyrrol-1-yl)phenyl]-2-pyrrol-1-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-2-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-2-yl)pyrrole;1-[3,5-bis(2-thiophen-2-ylpyrrol-1-yl)phenyl]-2-thiophen-2-ylpyrrole |
|---|---|
| PubChem CID | 159392975 |
| Molecular Formula | C156H117N21O3S3 |
| Molecular Weight | 2430.00 g/mol |
| Exact Mass | 2427.88 |
| IUPAC Name | 1-[3,5-bis[2-(furan-2-yl)pyrrol-1-yl]phenyl]-2-(furan-2-yl)pyrrole;1-[3,5-bis(2-phenylpyrrol-1-yl)phenyl]-2-phenylpyrrole;1-[3,5-bis(2-pyrrol-1-ylpyrrol-1-yl)phenyl]-2-pyrrol-1-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-2-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-2-yl)pyrrole;1-[3,5-bis(2-thiophen-2-ylpyrrol-1-yl)phenyl]-2-thiophen-2-ylpyrrole |
| SMILES | c1c[nH]c(-c2cccn2-c2cc(-n3cccc3-c3ccc[nH]3)cc(-n3cccc3-c3ccc[nH]3)c2)c1.c1ccc(-c2cccn2-c2cc(-n3cccc3-c3ccccc3)cc(-n3cccc3-c3ccccc3)c2)cc1.c1ccn(-c2cccn2-c2cc(-n3cccc3-n3cccc3)cc(-n3cccc3-n3cccc3)c2)c1.c1coc(-c2cccn2-c2cc(-n3cccc3-c3ccco3)cc(-n3cccc3-c3ccco3)c2)c1.c1csc(-c2cccn2-c2cc(-n3cccc3-c3cccs3)cc(-n3cccc3-c3cccs3)c2)c1 |
| InChI | InChI=1S/C36H27N3.2C30H24N6.C30H21N3O3.C30H21N3S3/c1-4-13-28(14-5-1)34-19-10-22-37(34)31-25-32(38-23-11-20-35(38)29-15-6-2-7-16-29)27-33(26-31)39-24-12-21-36(39)30-17-8-3-9-18-30;1-7-25(31-13-1)28-10-4-16-34(28)22-19-23(35-17-5-11-29(35)26-8-2-14-32-26)21-24(20-22)36-18-6-12-30(36)27-9-3-15-33-27;1-2-14-31(13-1)28-10-7-19-34(28)25-22-26(35-20-8-11-29(35)32-15-3-4-16-32)24-27(23-25)36-21-9-12-30(36)33-17-5-6-18-33;2*1-7-25(28-10-4-16-34-28)31(13-1)22-19-23(32-14-2-8-26(32)29-11-5-17-35-29)21-24(20-22)33-15-3-9-27(33)30-12-6-18-36-30/h1-27H;1-21,31-33H;1-24H;2*1-21H |
| InChIKey | LMIXPOPPQXTESS-UHFFFAOYSA-N |
| XLogP | 39.62 |
| TPSA | 175.53 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 183 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2430.00 |
| LogP ≤ 5 | 39.62 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 24 |