C209H131N15S5 — CID 160868466
2-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-1,3-benzothiazole;2-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[3-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[11-(3-phenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole (PubChem CID 160868466) has the molecular formula C209H131N15S5 and a molecular weight of 3012.79 g/mol. Its IUPAC name is 2-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-1,3-benzothiazole;2-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[3-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[11-(3-phenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole.
| Compound Name | 2-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-1,3-benzothiazole;2-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[3-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[11-(3-phenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole |
|---|---|
| PubChem CID | 160868466 |
| Molecular Formula | C209H131N15S5 |
| Molecular Weight | 3012.79 g/mol |
| Exact Mass | 3009.93 |
| IUPAC Name | 2-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-1,3-benzothiazole;2-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[3-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[11-(3-phenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4nc5ccccc5s4)cc3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-c4nc5ccccc5s4)c3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3-c3nc4ccccc4s3)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4nc5ccccc5s4)cc3)c2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2-c2nc3ccccc3s2)cc1 |
| InChI | InChI=1S/4C43H27N3S.C37H23N3S/c1-2-12-28(13-3-1)29-22-24-30(25-23-29)45-37-18-8-4-14-31(37)34-27-41-35(26-40(34)45)32-15-5-9-19-38(32)46(41)39-20-10-6-16-33(39)43-44-36-17-7-11-21-42(36)47-43;1-2-11-28(12-3-1)30-13-10-14-32(25-30)46-39-19-8-5-16-34(39)36-26-40-35(27-41(36)46)33-15-4-7-18-38(33)45(40)31-23-21-29(22-24-31)43-44-37-17-6-9-20-42(37)47-43;1-2-11-28(12-3-1)29-21-23-31(24-22-29)45-38-18-7-4-15-33(38)35-27-41-36(26-40(35)45)34-16-5-8-19-39(34)46(41)32-14-10-13-30(25-32)43-44-37-17-6-9-20-42(37)47-43;1-2-10-28(11-3-1)29-18-22-31(23-19-29)45-38-15-7-4-12-33(38)35-27-41-36(26-40(35)45)34-13-5-8-16-39(34)46(41)32-24-20-30(21-25-32)43-44-37-14-6-9-17-42(37)47-43;1-2-12-24(13-3-1)39-31-18-8-4-14-25(31)28-23-35-29(22-34(28)39)26-15-5-9-19-32(26)40(35)33-20-10-6-16-27(33)37-38-30-17-7-11-21-36(30)41-37/h4*1-27H;1-23H |
| InChIKey | SLLFWPCDKJDWMP-UHFFFAOYSA-N |
| XLogP | 57.46 |
| TPSA | 113.75 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 229 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3012.79 |
| LogP ≤ 5 | 57.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |