C183H124N16O3S4 — CID 157966850
3,6-Bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole (PubChem CID 157966850) has the molecular formula C183H124N16O3S4 and a molecular weight of 2723.00 g/mol. Its IUPAC name is 3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole.
| Compound Name | 3,6-Bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole |
|---|---|
| PubChem CID | 157966850 |
| Molecular Formula | C183H124N16O3S4 |
| Molecular Weight | 2723.00 g/mol |
| Exact Mass | 2721.90 |
| IUPAC Name | 3,6-bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole |
| SMILES | CC1=CC(=CC2=C1SC3=C2C=C(C=C3C)C4=C(SC(=N4)C)C5=CC=CC=C5)C6=CC=CC=C6C7=CC8=C(C(=C7)C)SC9=C8C=C(C=C9C)C1=C(SC(=N1)C)C1=CC=CC=C1.C1=CC=C(C=C1)C2=NC(=NC=C2)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)C6=NC=CC(=N6)C7=CC=CC=C7)C8=CC9=C(C(=C8)C1=CN=CC=C1)OC1=C9C=C(C=C1C1=CN=CC=C1)C1=CN=CC=C1.C1=CC=C(C=C1)C2=CC(=CC(=N2)C3=CC=CC=C3)COC4=CC5=C(C=C4)N(C6=C5C=NC=C6)C7=CC=CC(=C7)C8=CC(=CC=C8)N9C1=C(C=C(C=C1)OCC1=CC(=NC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=C9C=CN=C1 |
| InChI | InChI=1S/C70H48N6O2.C59H36N8O.C54H40N2S4/c1-5-15-49(16-6-1)63-35-47(36-64(73-63)50-17-7-2-8-18-50)45-77-57-27-29-67-59(41-57)61-43-71-33-31-69(61)75(67)55-25-13-23-53(39-55)54-24-14-26-56(40-54)76-68-30-28-58(42-60(68)62-44-72-34-32-70(62)76)78-46-48-37-65(51-19-9-3-10-20-51)74-66(38-48)52-21-11-4-12-22-52;1-3-10-37(11-4-1)52-21-26-63-58(65-52)39-17-19-54-48(28-39)49-29-40(59-64-27-22-53(66-59)38-12-5-2-6-13-38)18-20-55(49)67(54)45-32-47(43-16-9-25-62-36-43)57-51(33-45)50-31-44(41-14-7-23-60-34-41)30-46(56(50)68-57)42-15-8-24-61-35-42;1-29-21-37(25-43-45-27-39(23-31(3)51(45)59-49(29)43)47-53(57-33(5)55-47)35-15-9-7-10-16-35)41-19-13-14-20-42(41)38-22-30(2)50-44(26-38)46-28-40(24-32(4)52(46)60-50)48-54(58-34(6)56-48)36-17-11-8-12-18-36/h1-44H,45-46H2;1-36H;7-28H,1-6H3 |
| InChIKey | DZUPMUKCRMNFRK-UHFFFAOYSA-N |
| XLogP | — |
| TPSA | 327.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 206 |
| Complexity | 4570 |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2723.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |