C226H146N12S3 — CID 158029379
3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole;2,6-bis(2,3,4,5-tetraphenylphenyl)pyridine;9-dibenzothiophen-2-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole;3-(2-pyridin-2-ylphenyl)-9-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole (PubChem CID 158029379) has the molecular formula C226H146N12S3 and a molecular weight of 3125.94 g/mol. Its IUPAC name is 3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole;2,6-bis(2,3,4,5-tetraphenylphenyl)pyridine;9-dibenzothiophen-2-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole;3-(2-pyridin-2-ylphenyl)-9-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole.
| Compound Name | 3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole;2,6-bis(2,3,4,5-tetraphenylphenyl)pyridine;9-dibenzothiophen-2-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole;3-(2-pyridin-2-ylphenyl)-9-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole |
|---|---|
| PubChem CID | 158029379 |
| Molecular Formula | C226H146N12S3 |
| Molecular Weight | 3125.94 g/mol |
| Exact Mass | 3123.10 |
| IUPAC Name | 3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole;2,6-bis(2,3,4,5-tetraphenylphenyl)pyridine;9-dibenzothiophen-2-yl-3,6-bis(2-pyridin-2-ylphenyl)carbazole;3-(2-pyridin-2-ylphenyl)-9-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole |
| SMILES | c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)n3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2ccc3sc4ccccc4c3c2)nc1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4ccc(-n5c6ccc(-c7ccccc7-c7ccccn7)cc6c6cc(-c7ccccc7-c7ccccn7)ccc65)cc4c3c2)nc1.c1ccc(-c2ccccc2-c2ccc3sc4ccc(-n5c6ccccc6c6cc(-c7ccccc7-c7ccccn7)ccc65)cc4c3c2)nc1 |
| InChI | InChI=1S/C69H43N5S.C65H45N.2C46H29N3S/c1-4-18-52(61-22-9-12-36-70-61)49(15-1)44-26-31-65-56(39-44)55-21-7-8-25-64(55)73(65)47-29-34-68-59(42-47)60-43-48(30-35-69(60)75-68)74-66-32-27-45(50-16-2-5-19-53(50)62-23-10-13-37-71-62)40-57(66)58-41-46(28-33-67(58)74)51-17-3-6-20-54(51)63-24-11-14-38-72-63;1-9-26-46(27-10-1)54-44-56(62(50-34-17-5-18-35-50)64(52-38-21-7-22-39-52)60(54)48-30-13-3-14-31-48)58-42-25-43-59(66-58)57-45-55(47-28-11-2-12-29-47)61(49-32-15-4-16-33-49)65(53-40-23-8-24-41-53)63(57)51-36-19-6-20-37-51;1-3-13-35(41-16-7-9-25-47-41)33(11-1)30-19-22-43-38(27-30)39-28-31(34-12-2-4-14-36(34)42-17-8-10-26-48-42)20-23-44(39)49(43)32-21-24-46-40(29-32)37-15-5-6-18-45(37)50-46;1-3-13-35(41-16-7-9-25-47-41)33(11-1)30-19-22-44-38(27-30)37-15-5-6-18-43(37)49(44)32-21-24-46-40(29-32)39-28-31(20-23-45(39)50-46)34-12-2-4-14-36(34)42-17-8-10-26-48-42/h1-43H;1-45H;2*1-29H |
| InChIKey | FGZNYPHLSFVZHD-UHFFFAOYSA-N |
| XLogP | 61.41 |
| TPSA | 122.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 241 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3125.94 |
| LogP ≤ 5 | 61.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |