C146H100N12S4 — CID 157602097
5,6-Bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole;6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]thiazole;5-(4-carbazol-9-ylphenyl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole;5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 157602097) has the molecular formula C146H100N12S4 and a molecular weight of 2150.70 g/mol. Its IUPAC name is 5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole;6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]thiazole;5-(4-carbazol-9-ylphenyl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole;5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole.
| Compound Name | 5,6-Bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole;6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]thiazole;5-(4-carbazol-9-ylphenyl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole;5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole |
|---|---|
| PubChem CID | 157602097 |
| Molecular Formula | C146H100N12S4 |
| Molecular Weight | 2150.70 g/mol |
| Exact Mass | 2149.71 |
| IUPAC Name | 5,6-bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole;6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]thiazole;5-(4-carbazol-9-ylphenyl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole;5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole |
| SMILES | CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=C(N=C5N4C=CS5)C6=CC=C(C=C6)C7=CC=CC=C7)C.CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=C(N=C5N4C=CS5)C6=CC=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C.C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(N4C=CSC4=N3)C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86.C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)C5=C(N6C=CSC6=N5)C7=CC=C(C=C7)N8C9=CC=CC=C9C1=CC=CC=C18 |
| InChI | InChI=1S/C41H26N4S.C38H27N3S.C35H23N3S.C32H24N2S/c1-5-13-35-31(9-1)32-10-2-6-14-36(32)44(35)29-21-17-27(18-22-29)39-40(43-25-26-46-41(43)42-39)28-19-23-30(24-20-28)45-37-15-7-3-11-33(37)34-12-4-8-16-38(34)45;1-38(2)31-12-6-3-9-27(31)28-20-17-25(23-32(28)38)36-35(39-37-40(36)21-22-42-37)24-15-18-26(19-16-24)41-33-13-7-4-10-29(33)30-11-5-8-14-34(30)41;1-2-8-24(9-3-1)25-14-16-26(17-15-25)33-34(37-22-23-39-35(37)36-33)27-18-20-28(21-19-27)38-31-12-6-4-10-29(31)30-11-5-7-13-32(30)38;1-32(2)27-11-7-6-10-25(27)26-17-16-24(20-28(26)32)30-29(33-31-34(30)18-19-35-31)23-14-12-22(13-15-23)21-8-4-3-5-9-21/h1-26H;3-23H,1-2H3;1-23H;3-20H,1-2H3 |
| InChIKey | CJWUZHWRYWKAOB-UHFFFAOYSA-N |
| XLogP | — |
| TPSA | 202.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 162 |
| Complexity | 3490 |
1 violation
| Rule | Value |
|---|---|
| MW ≤ 500 | 2150.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |