C203H126N34O3S3 — CID 157444828
2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine;10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine;10-[2,6-bis(1-dibenzothiophen-1-ylpyrrolo[2,3-b]pyridin-2-yl)-4-pyridinyl]phenoxazine;10-[2,6-bis(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]-9,9-dimethylacridine (PubChem CID 157444828) has the molecular formula C203H126N34O3S3 and a molecular weight of 3185.68 g/mol. Its IUPAC name is 2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine;10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine;10-[2,6-bis(1-dibenzothiophen-1-ylpyrrolo[2,3-b]pyridin-2-yl)-4-pyridinyl]phenoxazine;10-[2,6-bis(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]-9,9-dimethylacridine.
| Compound Name | 2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine;10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine;10-[2,6-bis(1-dibenzothiophen-1-ylpyrrolo[2,3-b]pyridin-2-yl)-4-pyridinyl]phenoxazine;10-[2,6-bis(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]-9,9-dimethylacridine |
|---|---|
| PubChem CID | 157444828 |
| Molecular Formula | C203H126N34O3S3 |
| Molecular Weight | 3185.68 g/mol |
| Exact Mass | 3182.99 |
| IUPAC Name | 2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine;10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine;10-[2,6-bis(1-dibenzothiophen-1-ylpyrrolo[2,3-b]pyridin-2-yl)-4-pyridinyl]phenoxazine;10-[2,6-bis(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]-9,9-dimethylacridine |
| SMILES | CC1(C)c2ccccc2N(c2cc(-c3nc4cccnc4n3-c3ccncc3)nc(-c3nc4cccnc4n3-c3ccncc3)c2)c2ccccc21.c1ccc(N(c2ccccc2)c2cc(-c3nc4cccnc4n3-c3cccc4[nH]c5ccccc5c34)nc(-c3nc4cccnc4n3-c3cccc4[nH]c5ccccc5c34)c2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc3cccnc3n2-c2cccc3sc4ccccc4c23)nc(-c2cc3cccnc3n2-c2cccc3sc4ccccc4c23)c1.c1ccc2c(c1)Sc1ccccc1N2c1cc(-c2nc3cccnc3n2-c2cccc3oc4ccccc4c23)nc(-c2nc3cccnc3n2-c2cccc3oc4ccccc4c23)c1 |
| InChI | InChI=1S/C55H32N6OS2.C53H34N10.C53H30N8O2S.C42H30N10/c1-7-23-48-36(15-1)52-42(19-9-25-50(52)63-48)60-44(29-33-13-11-27-56-54(33)60)38-31-35(59-40-17-3-5-21-46(40)62-47-22-6-4-18-41(47)59)32-39(58-38)45-30-34-14-12-28-57-55(34)61(45)43-20-10-26-51-53(43)37-16-2-8-24-49(37)64-51;1-3-15-33(16-4-1)61(34-17-5-2-6-18-34)35-31-44(52-59-42-25-13-29-54-50(42)62(52)46-27-11-23-40-48(46)36-19-7-9-21-38(36)56-40)58-45(32-35)53-60-43-26-14-30-55-51(43)63(53)47-28-12-24-41-49(47)37-20-8-10-22-39(37)57-41;1-5-21-42-32(13-1)48-40(19-9-23-44(48)62-42)60-50-34(15-11-27-54-50)57-52(60)36-29-31(59-38-17-3-7-25-46(38)64-47-26-8-4-18-39(47)59)30-37(56-36)53-58-35-16-12-28-55-51(35)61(53)41-20-10-24-45-49(41)33-14-2-6-22-43(33)63-45;1-42(2)30-9-3-5-13-36(30)50(37-14-6-4-10-31(37)42)29-25-34(40-48-32-11-7-19-45-38(32)51(40)27-15-21-43-22-16-27)47-35(26-29)41-49-33-12-8-20-46-39(33)52(41)28-17-23-44-24-18-28/h1-32H;1-32,56-57H;1-30H;3-26H,1-2H3 |
| InChIKey | BSCGDADRPYPYOQ-UHFFFAOYSA-N |
| XLogP | 50.43 |
| TPSA | 377.29 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 243 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3185.68 |
| LogP ≤ 5 | 50.43 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 38 |