C72H43F8N — CID 167161010
9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine (PubChem CID 167161010) has the molecular formula C72H43F8N and a molecular weight of 1074.13 g/mol. Its IUPAC name is 9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine.
| Compound Name | 9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine |
|---|---|
| PubChem CID | 167161010 |
| Molecular Formula | C72H43F8N |
| Molecular Weight | 1074.13 g/mol |
| Exact Mass | 1073.33 |
| IUPAC Name | 9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine |
| SMILES | C=Cc1ccc(C2(c3cc(F)c(F)c(F)c3F)c3ccccc3-c3ccc(N(c4cccc(-c5cccc(-c6ccccc6)c5)c4)c4ccc5c(c4)C(c4ccc(C=C)cc4)(c4cc(F)c(F)c(F)c4F)c4ccccc4-5)cc32)cc1 |
| InChI | InChI=1S/C72H43F8N/c1-3-42-24-28-48(29-25-42)71(61-40-63(73)67(77)69(79)65(61)75)57-22-10-8-20-53(57)55-34-32-51(38-59(55)71)81(50-19-13-18-47(37-50)46-17-12-16-45(36-46)44-14-6-5-7-15-44)52-33-35-56-54-21-9-11-23-58(54)72(60(56)39-52,49-30-26-43(4-2)27-31-49)62-41-64(74)68(78)70(80)66(62)76/h3-41H,1-2H2 |
| InChIKey | QYPQMEUNZDAIKZ-UHFFFAOYSA-N |
| XLogP | 19.62 |
| TPSA | 3.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 81 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1074.13 |
| LogP ≤ 5 | 19.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'} |
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