C184H116N12S4 — CID 160697130
2-[3-[11-(3,5-diphenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole;2-[4-[11-(3,5-diphenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole;2-[2-[5-(3-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[3-[5-(3-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole (PubChem CID 160697130) has the molecular formula C184H116N12S4 and a molecular weight of 2623.30 g/mol. Its IUPAC name is 2-[3-[11-(3,5-diphenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole;2-[4-[11-(3,5-diphenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole;2-[2-[5-(3-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[3-[5-(3-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole.
| Compound Name | 2-[3-[11-(3,5-diphenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole;2-[4-[11-(3,5-diphenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole;2-[2-[5-(3-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[3-[5-(3-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole |
|---|---|
| PubChem CID | 160697130 |
| Molecular Formula | C184H116N12S4 |
| Molecular Weight | 2623.30 g/mol |
| Exact Mass | 2620.83 |
| IUPAC Name | 2-[3-[11-(3,5-diphenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole;2-[4-[11-(3,5-diphenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole;2-[2-[5-(3-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[3-[5-(3-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4nc5ccccc5s4)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-c4nc5ccccc5s4)c3)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-c4nc5ccccc5s4)c3)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3-c3nc4ccccc4s3)c2)cc1 |
| InChI | InChI=1S/2C49H31N3S.2C43H27N3S/c1-3-14-32(15-4-1)35-26-36(33-16-5-2-6-17-33)29-38(28-35)52-45-24-11-8-21-40(45)42-30-46-41(31-47(42)52)39-20-7-10-23-44(39)51(46)37-19-13-18-34(27-37)49-50-43-22-9-12-25-48(43)53-49;1-3-13-32(14-4-1)35-27-36(33-15-5-2-6-16-33)29-38(28-35)52-45-21-11-8-18-40(45)42-30-46-41(31-47(42)52)39-17-7-10-20-44(39)51(46)37-25-23-34(24-26-37)49-50-43-19-9-12-22-48(43)53-49;1-2-13-28(14-3-1)29-15-12-16-30(25-29)45-37-21-8-4-17-31(37)34-27-41-35(26-40(34)45)32-18-5-9-22-38(32)46(41)39-23-10-6-19-33(39)43-44-36-20-7-11-24-42(36)47-43;1-2-12-28(13-3-1)29-14-10-16-31(24-29)45-38-21-7-4-18-33(38)35-27-41-36(26-40(35)45)34-19-5-8-22-39(34)46(41)32-17-11-15-30(25-32)43-44-37-20-6-9-23-42(37)47-43/h2*1-31H;2*1-27H |
| InChIKey | RQDIELHKHFYVLB-UHFFFAOYSA-N |
| XLogP | 50.63 |
| TPSA | 91.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2623.30 |
| LogP ≤ 5 | 50.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |