C203H144N16 — CID 158616372
11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole;11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenylpyrimidin-4-yl)indolo[2,3-a]carbazole;11-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(9,9-dimethylfluoren-2-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole;methane (PubChem CID 158616372) has the molecular formula C203H144N16 and a molecular weight of 2807.50 g/mol. Its IUPAC name is 11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole;11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenylpyrimidin-4-yl)indolo[2,3-a]carbazole;11-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(9,9-dimethylfluoren-2-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole;methane.
| Compound Name | 11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole;11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenylpyrimidin-4-yl)indolo[2,3-a]carbazole;11-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(9,9-dimethylfluoren-2-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole;methane |
|---|---|
| PubChem CID | 158616372 |
| Molecular Formula | C203H144N16 |
| Molecular Weight | 2807.50 g/mol |
| Exact Mass | 2805.18 |
| IUPAC Name | 11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole;11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenylpyrimidin-4-yl)indolo[2,3-a]carbazole;11-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(9,9-dimethylfluoren-2-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole;methane |
| SMILES | C.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)c5c43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5c43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5c43)cc21 |
| InChI | InChI=1S/C54H37N5.C50H35N3.2C49H34N4.CH4/c1-54(2)45-25-12-9-22-39(45)40-29-28-38(33-46(40)54)59-48-27-14-11-24-42(48)44-31-30-43-41-23-10-13-26-47(41)58(49(43)50(44)59)37-21-15-20-36(32-37)53-56-51(34-16-5-3-6-17-34)55-52(57-53)35-18-7-4-8-19-35;1-50(2)42-22-12-9-19-36(42)37-26-25-34(29-43(37)50)52-46-23-13-10-20-38(46)40-27-28-41-39-21-11-14-24-47(39)53(49(41)48(40)52)35-30-44(32-15-5-3-6-16-32)51-45(31-35)33-17-7-4-8-18-33;1-49(2)40-22-12-9-19-34(40)35-26-25-33(29-41(35)49)52-44-23-13-10-20-36(44)38-27-28-39-37-21-11-14-24-45(37)53(47(39)46(38)52)48-50-42(31-15-5-3-6-16-31)30-43(51-48)32-17-7-4-8-18-32;1-49(2)40-22-12-9-19-34(40)35-26-25-33(29-41(35)49)52-43-23-13-10-20-36(43)38-27-28-39-37-21-11-14-24-44(37)53(47(39)46(38)52)45-30-42(31-15-5-3-6-16-31)50-48(51-45)32-17-7-4-8-18-32;/h3-33H,1-2H3;3-31H,1-2H3;2*3-30H,1-2H3;1H4 |
| InChIKey | HXLBJLHTCRLJNB-UHFFFAOYSA-N |
| XLogP | 51.55 |
| TPSA | 142.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 219 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2807.50 |
| LogP ≤ 5 | 51.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |