C208H123N7O12S3 — CID 157050417
2-(3-dibenzothiophen-1-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine;5-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)-[1]benzofuro[2,3-b]pyridine;5-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)-[1]benzothiolo[2,3-b]pyridine;5-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzofuro[2,3-b]pyridine;5-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzothiolo[2,3-b]pyridine (PubChem CID 157050417) has the molecular formula C208H123N7O12S3 and a molecular weight of 3008.51 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-1-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine;5-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)-[1]benzofuro[2,3-b]pyridine;5-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)-[1]benzothiolo[2,3-b]pyridine;5-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzofuro[2,3-b]pyridine;5-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzothiolo[2,3-b]pyridine.
| Compound Name | 2-(3-dibenzothiophen-1-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine;5-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)-[1]benzofuro[2,3-b]pyridine;5-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)-[1]benzothiolo[2,3-b]pyridine;5-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzofuro[2,3-b]pyridine;5-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzothiolo[2,3-b]pyridine |
|---|---|
| PubChem CID | 157050417 |
| Molecular Formula | C208H123N7O12S3 |
| Molecular Weight | 3008.51 g/mol |
| Exact Mass | 3005.84 |
| IUPAC Name | 2-(3-dibenzothiophen-1-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine;5-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)-[1]benzofuro[2,3-b]pyridine;5-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)-[1]benzothiolo[2,3-b]pyridine;5-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzofuro[2,3-b]pyridine;5-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzothiolo[2,3-b]pyridine |
| SMILES | c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4cccc5oc6ncccc6c45)ccc32)cc1.c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4cccc5oc6ncccc6c45)ccc32)nc1.c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4cccc5sc6ccccc6c45)ccc32)nc1.c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4cccc5sc6ncccc6c45)ccc32)cc1.c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4cccc5sc6ncccc6c45)ccc32)nc1 |
| InChI | InChI=1S/C42H25NO3.2C42H25NO2S.C41H24N2O3.C41H24N2O2S/c1-2-10-26(11-3-1)27-19-21-33-38(24-27)44-35-16-6-4-14-31(35)42(33)32-15-5-7-17-36(32)45-39-25-28(20-22-34(39)42)29-12-8-18-37-40(29)30-13-9-23-43-41(30)46-37;1-6-17-39-29(10-1)41-28(11-9-18-40(41)46-39)26-19-21-32-37(24-26)44-35-15-4-2-12-30(35)42(32)31-13-3-5-16-36(31)45-38-25-27(20-22-33(38)42)34-14-7-8-23-43-34;1-2-10-26(11-3-1)27-19-21-33-37(24-27)44-35-16-6-4-14-31(35)42(33)32-15-5-7-17-36(32)45-38-25-28(20-22-34(38)42)29-12-8-18-39-40(29)30-13-9-23-43-41(30)46-39;1-3-14-34-29(11-1)41(30-12-2-4-15-35(30)45-38-24-26(18-20-32(38)41)33-13-5-6-21-42-33)31-19-17-25(23-37(31)44-34)27-9-7-16-36-39(27)28-10-8-22-43-40(28)46-36;1-3-14-34-29(11-1)41(30-12-2-4-15-35(30)45-37-24-26(18-20-32(37)41)33-13-5-6-21-42-33)31-19-17-25(23-36(31)44-34)27-9-7-16-38-39(27)28-10-8-22-43-40(28)46-38/h3*1-25H;2*1-24H |
| InChIKey | AADCXOBJKIYREK-UHFFFAOYSA-N |
| XLogP | 54.74 |
| TPSA | 208.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 230 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3008.51 |
| LogP ≤ 5 | 54.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |