C196H127N13O3 — CID 158685021
7,7-dimethyl-2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole;7,7-dimethyl-5-phenyl-2-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]indeno[2,1-b]carbazole;2-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (PubChem CID 158685021) has the molecular formula C196H127N13O3 and a molecular weight of 2712.26 g/mol. Its IUPAC name is 7,7-dimethyl-2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole;7,7-dimethyl-5-phenyl-2-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]indeno[2,1-b]carbazole;2-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.
| Compound Name | 7,7-dimethyl-2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole;7,7-dimethyl-5-phenyl-2-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]indeno[2,1-b]carbazole;2-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole |
|---|---|
| PubChem CID | 158685021 |
| Molecular Formula | C196H127N13O3 |
| Molecular Weight | 2712.26 g/mol |
| Exact Mass | 2710.02 |
| IUPAC Name | 7,7-dimethyl-2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole;7,7-dimethyl-5-phenyl-2-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]indeno[2,1-b]carbazole;2-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole |
| SMILES | CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c56)ccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8nc(-c9ccccc9)c9ccccc9n8)cc7c56)ccc4n(-c4ccccc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c56)ccc4n(-c4ccccc4)c3cc21 |
| InChI | InChI=1S/C66H43N5O.2C65H42N4O/c1-66(2)54-26-14-12-23-47(54)49-38-52-51-37-44(30-33-57(51)70(59(52)39-55(49)66)45-21-10-5-11-22-45)46-25-16-28-61-62(46)53-36-43(31-34-60(53)72-61)42-29-32-58-50(35-42)48-24-13-15-27-56(48)71(58)65-68-63(40-17-6-3-7-18-40)67-64(69-65)41-19-8-4-9-20-41;1-65(2)53-24-12-9-20-45(53)48-37-51-50-36-42(29-32-57(50)68(59(51)38-54(48)65)43-18-7-4-8-19-43)44-23-15-27-61-62(44)52-35-41(30-33-60(52)70-61)40-28-31-58-49(34-40)46-21-11-14-26-56(46)69(58)64-66-55-25-13-10-22-47(55)63(67-64)39-16-5-3-6-17-39;1-65(2)53-24-12-9-20-45(53)48-37-51-50-36-42(29-32-58(50)69(59(51)38-54(48)65)64-66-55-25-13-10-22-47(55)63(67-64)39-16-5-3-6-17-39)44-23-15-27-61-62(44)52-35-41(30-33-60(52)70-61)40-28-31-57-49(34-40)46-21-11-14-26-56(46)68(57)43-18-7-4-8-19-43/h3-39H,1-2H3;2*3-38H,1-2H3 |
| InChIKey | IFPYGWOEHPKYMZ-UHFFFAOYSA-N |
| XLogP | 51.00 |
| TPSA | 159.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 212 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2712.26 |
| LogP ≤ 5 | 51.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |