C150H96N14 — CID 161451150
9-carbazol-9-yl-12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;10-carbazol-9-yl-12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-(2-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 161451150) has the molecular formula C150H96N14 and a molecular weight of 2094.52 g/mol. Its IUPAC name is 9-carbazol-9-yl-12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;10-carbazol-9-yl-12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-(2-phenylphenyl)indolo[3,2-c]carbazole.
| Compound Name | 9-carbazol-9-yl-12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;10-carbazol-9-yl-12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-(2-phenylphenyl)indolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 161451150 |
| Molecular Formula | C150H96N14 |
| Molecular Weight | 2094.52 g/mol |
| Exact Mass | 2092.79 |
| IUPAC Name | 9-carbazol-9-yl-12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;10-carbazol-9-yl-12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-(2-phenylphenyl)indolo[3,2-c]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5-c5ccccc5)c43)n2)cc1 |
| InChI | InChI=1S/2C52H33N5.C46H30N4/c1-4-16-34(17-5-1)43-33-44(35-18-6-2-7-19-35)54-52(53-43)57-48-30-28-37(56-45-25-13-10-22-38(45)39-23-11-14-26-46(39)56)32-42(48)40-29-31-49-50(51(40)57)41-24-12-15-27-47(41)55(49)36-20-8-3-9-21-36;1-4-16-34(17-5-1)43-33-44(35-18-6-2-7-19-35)54-52(53-43)57-49-32-37(56-45-25-13-10-22-38(45)39-23-11-14-26-46(39)56)28-29-40(49)41-30-31-48-50(51(41)57)42-24-12-15-27-47(42)55(48)36-20-8-3-9-21-36;1-4-16-31(17-5-1)34-22-10-13-25-40(34)49-42-27-15-12-24-37(42)44-43(49)29-28-36-35-23-11-14-26-41(35)50(45(36)44)46-47-38(32-18-6-2-7-19-32)30-39(48-46)33-20-8-3-9-21-33/h2*1-33H;1-30H |
| InChIKey | WANVNULYOLENTA-UHFFFAOYSA-N |
| XLogP | 37.88 |
| TPSA | 116.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 164 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2094.52 |
| LogP ≤ 5 | 37.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |