C116H72N16S4 — CID 158283184
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]thiazolo[4,5-c]pyridine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine;2-(4-pyrido[2,3-b]indol-9-ylphenyl)-[1,3]thiazolo[4,5-c]pyridine;2-(5-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 158283184) has the molecular formula C116H72N16S4 and a molecular weight of 1818.23 g/mol. Its IUPAC name is 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]thiazolo[4,5-c]pyridine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine;2-(4-pyrido[2,3-b]indol-9-ylphenyl)-[1,3]thiazolo[4,5-c]pyridine;2-(5-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine.
| Compound Name | 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]thiazolo[4,5-c]pyridine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine;2-(4-pyrido[2,3-b]indol-9-ylphenyl)-[1,3]thiazolo[4,5-c]pyridine;2-(5-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine |
|---|---|
| PubChem CID | 158283184 |
| Molecular Formula | C116H72N16S4 |
| Molecular Weight | 1818.23 g/mol |
| Exact Mass | 1816.50 |
| IUPAC Name | 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]thiazolo[4,5-c]pyridine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine;2-(4-pyrido[2,3-b]indol-9-ylphenyl)-[1,3]thiazolo[4,5-c]pyridine;2-(5-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine |
| SMILES | c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc4cnccc4s3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc4cnccc4s3)nc2)cc1.c1ccc2c(c1)c1cccnc1n2-c1ccc(-c2nc3cnccc3s2)cc1.c1ccc2c(c1)c1cccnc1n2-c1ccc(-c2nc3cnccc3s2)nc1 |
| InChI | InChI=1S/C36H23N3S.C35H22N4S.C23H14N4S.C22H13N5S/c1-3-7-24(8-4-1)27-13-17-33-30(21-27)31-22-28(25-9-5-2-6-10-25)14-18-34(31)39(33)29-15-11-26(12-16-29)36-38-32-23-37-20-19-35(32)40-36;1-3-7-23(8-4-1)25-11-15-32-28(19-25)29-20-26(24-9-5-2-6-10-24)12-16-33(29)39(32)27-13-14-30(37-21-27)35-38-31-22-36-18-17-34(31)40-35;1-2-6-20-17(4-1)18-5-3-12-25-22(18)27(20)16-9-7-15(8-10-16)23-26-19-14-24-13-11-21(19)28-23;1-2-6-19-15(4-1)16-5-3-10-24-21(16)27(19)14-7-8-17(25-12-14)22-26-18-13-23-11-9-20(18)28-22/h1-23H;1-22H;1-14H;1-13H |
| InChIKey | GKLKFJAYQHZIFU-UHFFFAOYSA-N |
| XLogP | 30.07 |
| TPSA | 174.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 136 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1818.23 |
| LogP ≤ 5 | 30.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |