C273H185N27O3 — CID 158658229
12-[2-(3,5-dimethoxyphenyl)-6-(3-methoxy-5-methylphenyl)-4-pyridinyl]-11-phenylindolo[2,3-a]carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]aniline;11-(2,6-diphenyl-4-pyridinyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(2,6-diphenyl-4-pyridinyl)-12-pyrimidin-2-ylindolo[2,3-a]carbazole;11-(2,6-diphenyl-4-pyridinyl)-12-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;11-phenyl-12-(2-phenyl-4-pyridinyl)indolo[2,3-a]carbazole (PubChem CID 158658229) has the molecular formula C273H185N27O3 and a molecular weight of 3891.67 g/mol. Its IUPAC name is 12-[2-(3,5-dimethoxyphenyl)-6-(3-methoxy-5-methylphenyl)-4-pyridinyl]-11-phenylindolo[2,3-a]carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]aniline;11-(2,6-diphenyl-4-pyridinyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(2,6-diphenyl-4-pyridinyl)-12-pyrimidin-2-ylindolo[2,3-a]carbazole;11-(2,6-diphenyl-4-pyridinyl)-12-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;11-phenyl-12-(2-phenyl-4-pyridinyl)indolo[2,3-a]carbazole.
| Compound Name | 12-[2-(3,5-dimethoxyphenyl)-6-(3-methoxy-5-methylphenyl)-4-pyridinyl]-11-phenylindolo[2,3-a]carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]aniline;11-(2,6-diphenyl-4-pyridinyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(2,6-diphenyl-4-pyridinyl)-12-pyrimidin-2-ylindolo[2,3-a]carbazole;11-(2,6-diphenyl-4-pyridinyl)-12-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;11-phenyl-12-(2-phenyl-4-pyridinyl)indolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 158658229 |
| Molecular Formula | C273H185N27O3 |
| Molecular Weight | 3891.67 g/mol |
| Exact Mass | 3888.52 |
| IUPAC Name | 12-[2-(3,5-dimethoxyphenyl)-6-(3-methoxy-5-methylphenyl)-4-pyridinyl]-11-phenylindolo[2,3-a]carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]aniline;11-(2,6-diphenyl-4-pyridinyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(2,6-diphenyl-4-pyridinyl)-12-pyrimidin-2-ylindolo[2,3-a]carbazole;11-(2,6-diphenyl-4-pyridinyl)-12-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;11-phenyl-12-(2-phenyl-4-pyridinyl)indolo[2,3-a]carbazole |
| SMILES | COc1cc(C)cc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc(-c3cc(OC)cc(OC)c3)n2)c1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)ccn2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5c43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ncccn6)c5c43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ncncn6)c5c43)cc(-c3ccccc3)n2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)n3)cc2)cc1 |
| InChI | InChI=1S/C65H45N5.C51H33N5.C45H35N3O3.C39H25N5.C38H24N6.C35H23N3/c1-6-20-48(21-7-1)67(49-22-8-2-9-23-49)53-38-34-46(35-39-53)60-44-55(45-61(66-60)47-36-40-54(41-37-47)68(50-24-10-3-11-25-50)51-26-12-4-13-27-51)70-63-33-19-17-31-57(63)59-43-42-58-56-30-16-18-32-62(56)69(64(58)65(59)70)52-28-14-5-15-29-52;1-5-17-34(18-6-1)43-31-38(32-44(52-43)35-19-7-2-8-20-35)55-47-27-15-13-25-39(47)41-29-30-42-40-26-14-16-28-48(40)56(50(42)49(41)55)51-53-45(36-21-9-3-10-22-36)33-46(54-51)37-23-11-4-12-24-37;1-28-20-29(22-33(21-28)49-2)40-25-32(26-41(46-40)30-23-34(50-3)27-35(24-30)51-4)48-43-17-11-9-15-37(43)39-19-18-38-36-14-8-10-16-42(36)47(44(38)45(39)48)31-12-6-5-7-13-31;1-3-12-26(13-4-1)33-24-28(25-34(42-33)27-14-5-2-6-15-27)43-35-18-9-7-16-29(35)31-20-21-32-30-17-8-10-19-36(30)44(38(32)37(31)43)39-40-22-11-23-41-39;1-3-11-25(12-4-1)32-21-27(22-33(42-32)26-13-5-2-6-14-26)43-34-17-9-7-15-28(34)30-19-20-31-29-16-8-10-18-35(29)44(37(31)36(30)43)38-40-23-39-24-41-38;1-3-11-24(12-4-1)31-23-26(21-22-36-31)38-33-18-10-8-16-28(33)30-20-19-29-27-15-7-9-17-32(27)37(34(29)35(30)38)25-13-5-2-6-14-25/h1-45H;1-33H;5-27H,1-4H3;1-25H;1-24H;1-23H |
| InChIKey | ICKPIQOOQOVDLC-UHFFFAOYSA-N |
| XLogP | 68.36 |
| TPSA | 260.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 303 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3891.67 |
| LogP ≤ 5 | 68.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |