C174H122N16 — CID 158085708
5-[6-(1,3-diphenylpyrazol-5-yl)naphthalen-2-yl]-1,3-diphenylpyrazole;5-[4-[4-(1,3-diphenylpyrazol-5-yl)phenyl]phenyl]-1,3-diphenylpyrazole;3-naphthalen-1-yl-5-[4-(3-naphthalen-1-yl-1-phenylpyrazol-5-yl)phenyl]-1-phenylpyrazole;1,3,4-triphenyl-5-[4-(1,3,4-triphenylpyrazol-5-yl)phenyl]pyrazole (PubChem CID 158085708) has the molecular formula C174H122N16 and a molecular weight of 2437.00 g/mol. Its IUPAC name is 5-[6-(1,3-diphenylpyrazol-5-yl)naphthalen-2-yl]-1,3-diphenylpyrazole;5-[4-[4-(1,3-diphenylpyrazol-5-yl)phenyl]phenyl]-1,3-diphenylpyrazole;3-naphthalen-1-yl-5-[4-(3-naphthalen-1-yl-1-phenylpyrazol-5-yl)phenyl]-1-phenylpyrazole;1,3,4-triphenyl-5-[4-(1,3,4-triphenylpyrazol-5-yl)phenyl]pyrazole.
| Compound Name | 5-[6-(1,3-diphenylpyrazol-5-yl)naphthalen-2-yl]-1,3-diphenylpyrazole;5-[4-[4-(1,3-diphenylpyrazol-5-yl)phenyl]phenyl]-1,3-diphenylpyrazole;3-naphthalen-1-yl-5-[4-(3-naphthalen-1-yl-1-phenylpyrazol-5-yl)phenyl]-1-phenylpyrazole;1,3,4-triphenyl-5-[4-(1,3,4-triphenylpyrazol-5-yl)phenyl]pyrazole |
|---|---|
| PubChem CID | 158085708 |
| Molecular Formula | C174H122N16 |
| Molecular Weight | 2437.00 g/mol |
| Exact Mass | 2435.00 |
| IUPAC Name | 5-[6-(1,3-diphenylpyrazol-5-yl)naphthalen-2-yl]-1,3-diphenylpyrazole;5-[4-[4-(1,3-diphenylpyrazol-5-yl)phenyl]phenyl]-1,3-diphenylpyrazole;3-naphthalen-1-yl-5-[4-(3-naphthalen-1-yl-1-phenylpyrazol-5-yl)phenyl]-1-phenylpyrazole;1,3,4-triphenyl-5-[4-(1,3,4-triphenylpyrazol-5-yl)phenyl]pyrazole |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nn5-c5ccccc5)cc4)cc3)n(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4cc(-c5cc(-c6ccccc6)nn5-c5ccccc5)ccc4c3)n(-c3ccccc3)n2)cc1.c1ccc(-c2nn(-c3ccccc3)c(-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)nn4-c4ccccc4)cc3)c2-c2ccccc2)cc1.c1ccc(-n2nc(-c3cccc4ccccc34)cc2-c2ccc(-c3cc(-c4cccc5ccccc45)nn3-c3ccccc3)cc2)cc1 |
| InChI | InChI=1S/C48H34N4.C44H30N4.C42H30N4.C40H28N4/c1-7-19-35(20-8-1)43-45(37-23-11-3-12-24-37)49-51(41-27-15-5-16-28-41)47(43)39-31-33-40(34-32-39)48-44(36-21-9-2-10-22-36)46(38-25-13-4-14-26-38)50-52(48)42-29-17-6-18-30-42;1-3-17-35(18-4-1)47-43(29-41(45-47)39-23-11-15-31-13-7-9-21-37(31)39)33-25-27-34(28-26-33)44-30-42(46-48(44)36-19-5-2-6-20-36)40-24-12-16-32-14-8-10-22-38(32)40;1-5-13-33(14-6-1)39-29-41(45(43-39)37-17-9-3-10-18-37)35-25-21-31(22-26-35)32-23-27-36(28-24-32)42-30-40(34-15-7-2-8-16-34)44-46(42)38-19-11-4-12-20-38;1-5-13-29(14-6-1)37-27-39(43(41-37)35-17-9-3-10-18-35)33-23-21-32-26-34(24-22-31(32)25-33)40-28-38(30-15-7-2-8-16-30)42-44(40)36-19-11-4-12-20-36/h1-34H;1-30H;1-30H;1-28H |
| InChIKey | FNMHVPXKLCNIMO-UHFFFAOYSA-N |
| XLogP | 43.36 |
| TPSA | 142.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 190 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2437.00 |
| LogP ≤ 5 | 43.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |