C236H152N24 — CID 157405731
5,7-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]indolo[2,3-b]carbazole;5,7-bis[6-(4,6-diphenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole;5,7-bis[6-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]indolo[2,3-b]carbazole;5,7-bis[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole (PubChem CID 157405731) has the molecular formula C236H152N24 and a molecular weight of 3323.98 g/mol. Its IUPAC name is 5,7-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]indolo[2,3-b]carbazole;5,7-bis[6-(4,6-diphenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole;5,7-bis[6-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]indolo[2,3-b]carbazole;5,7-bis[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole.
| Compound Name | 5,7-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]indolo[2,3-b]carbazole;5,7-bis[6-(4,6-diphenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole;5,7-bis[6-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]indolo[2,3-b]carbazole;5,7-bis[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole |
|---|---|
| PubChem CID | 157405731 |
| Molecular Formula | C236H152N24 |
| Molecular Weight | 3323.98 g/mol |
| Exact Mass | 3321.26 |
| IUPAC Name | 5,7-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]indolo[2,3-b]carbazole;5,7-bis[6-(4,6-diphenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole;5,7-bis[6-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]indolo[2,3-b]carbazole;5,7-bis[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)n7)c6cc54)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)n8)n7)c6cc54)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7cccc(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)n7)c6cc54)n3)n2)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7cccc(-c8cccc(-c9ccccc9)n8)n7)c6cc54)n3)n2)cc1 |
| InChI | InChI=1S/C64H42N4.C62H40N6.C60H38N8.C50H32N6/c1-5-19-43(20-6-1)47-35-48(44-21-7-2-8-22-44)38-51(37-47)57-29-17-33-63(65-57)67-59-31-15-13-27-53(59)55-41-56-54-28-14-16-32-60(54)68(62(56)42-61(55)67)64-34-18-30-58(66-64)52-39-49(45-23-9-3-10-24-45)36-50(40-52)46-25-11-4-12-26-46;1-5-19-41(20-6-1)45-35-53(43-23-9-3-10-24-43)63-55(37-45)51-29-17-33-61(65-51)67-57-31-15-13-27-47(57)49-39-50-48-28-14-16-32-58(48)68(60(50)40-59(49)67)62-34-18-30-52(66-62)56-38-46(42-21-7-2-8-22-42)36-54(64-56)44-25-11-4-12-26-44;1-5-19-39(20-6-1)49-36-50(40-21-7-2-8-22-40)64-59(63-49)47-29-17-33-57(61-47)67-53-31-15-13-27-43(53)45-35-46-44-28-14-16-32-54(44)68(56(46)38-55(45)67)58-34-18-30-48(62-58)60-65-51(41-23-9-3-10-24-41)37-52(66-60)42-25-11-4-12-26-42;1-3-15-33(16-4-1)39-21-11-23-41(51-39)43-25-13-29-49(53-43)55-45-27-9-7-19-35(45)37-31-38-36-20-8-10-28-46(36)56(48(38)32-47(37)55)50-30-14-26-44(54-50)42-24-12-22-40(52-42)34-17-5-2-6-18-34/h1-42H;1-40H;1-38H;1-32H |
| InChIKey | BNRRDNQQYDZAIU-UHFFFAOYSA-N |
| XLogP | 58.52 |
| TPSA | 245.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 260 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3323.98 |
| LogP ≤ 5 | 58.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |