C187H142N8 — CID 158944197
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyridine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyridine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 158944197) has the molecular formula C187H142N8 and a molecular weight of 2501.25 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyridine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyridine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine.
| Compound Name | 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyridine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyridine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine |
|---|---|
| PubChem CID | 158944197 |
| Molecular Formula | C187H142N8 |
| Molecular Weight | 2501.25 g/mol |
| Exact Mass | 2499.14 |
| IUPAC Name | 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyridine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyridine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21 |
| InChI | InChI=1S/2C38H29N.3C37H28N2/c1-38(2)34-19-10-9-18-32(34)33-21-20-29(23-35(33)38)28-16-11-17-30(22-28)37-25-31(26-12-5-3-6-13-26)24-36(39-37)27-14-7-4-8-15-27;1-38(2)34-19-10-9-18-32(34)33-21-20-30(23-35(33)38)28-16-11-17-29(22-28)31-24-36(26-12-5-3-6-13-26)39-37(25-31)27-14-7-4-8-15-27;1-37(2)32-19-10-9-18-30(32)31-21-20-28(23-33(31)37)27-16-11-17-29(22-27)35-24-34(25-12-5-3-6-13-25)38-36(39-35)26-14-7-4-8-15-26;1-37(2)32-16-10-9-15-30(32)31-22-21-29(23-33(31)37)25-17-19-27(20-18-25)35-24-34(26-11-5-3-6-12-26)38-36(39-35)28-13-7-4-8-14-28;1-37(2)32-16-10-9-15-30(32)31-22-21-29(23-33(31)37)25-17-19-28(20-18-25)36-38-34(26-11-5-3-6-12-26)24-35(39-36)27-13-7-4-8-14-27/h2*3-25H,1-2H3;3*3-24H,1-2H3 |
| InChIKey | JKPRQCQRTZECJZ-UHFFFAOYSA-N |
| XLogP | 48.46 |
| TPSA | 103.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 195 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2501.25 |
| LogP ≤ 5 | 48.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |