4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one

C₂₄₈H₂₆₉F₁₂N₂₅O₁₂ — CID 158021843

About 4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one

4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one (PubChem CID 158021843) has the molecular formula C₂₄₈H₂₆₉F₁₂N₂₅O₁₂ and a molecular weight of 4020.02 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one.

Molecular Properties

• Compound Name: 4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
• PubChem CID: 158021843
• Molecular Formula: C₂₄₈H₂₆₉F₁₂N₂₅O₁₂
• Molecular Weight: 4020.02 g/mol
• Exact Mass: 4017.10
• IUPAC Name: 4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
• SMILES: Cc1[nH]nc2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(C)(c1ccccc1F)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1c(F)cccc1F)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1cc(F)ccc1F)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1cccc(F)c1C)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1cnccc1C(F)(F)F)C1=C(C2)CC(C)(C)CC1=O.Cc1cc(F)ccc1C1C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.Cc1ccc(F)cc1C1C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.Cc1ccc(F)cc1C1C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.Cc1ccccc1C1C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O
• InChI: InChI=1S/5C21H23FN2O.3C21H24N2O.C20H20F3N3O.2C20H20F2N2O.C20H22N2O/c1-11-7-14(22)5-6-15(11)20-18-12(2)23-24-16(18)8-13-9-21(3,4)10-17(25)19(13)20;2*1-11-5-6-14(22)8-15(11)20-18-12(2)23-24-16(18)7-13-9-21(3,4)10-17(25)19(13)20;1-11-14(6-5-7-15(11)22)20-18-12(2)23-24-16(18)8-13-9-21(3,4)10-17(25)19(13)20;1-12-18-16(24-23-12)9-13-10-20(2,3)11-17(25)19(13)21(18,4)14-7-5-6-8-15(14)22;1-12-7-5-6-8-15(12)20-18-13(2)22-23-16(18)9-14-10-21(3,4)11-17(24)19(14)20;2*1-13-18-16(23-22-13)10-14-11-20(2,3)12-17(24)19(14)21(18,4)15-8-6-5-7-9-15;1-10-16-14(26-25-10)6-11-7-19(2,3)8-15(27)17(11)18(16)12-9-24-5-4-13(12)20(21,22)23;1-10-17-15(24-23-10)6-11-8-20(2,3)9-16(25)18(11)19(17)13-7-12(21)4-5-14(13)22;1-10-16-14(24-23-10)7-11-8-20(2,3)9-15(25)17(11)19(16)18-12(21)5-4-6-13(18)22;1-12-17-15(22-21-12)9-14-10-20(2,3)11-16(23)18(14)19(17)13-7-5-4-6-8-13/h5-7,20H,8-10H2,1-4H3,(H,23,24);2*5-6,8,20H,7,9-10H2,1-4H3,(H,23,24);5-7,20H,8-10H2,1-4H3,(H,23,24);5-8H,9-11H2,1-4H3,(H,23,24);5-8,20H,9-11H2,1-4H3,(H,22,23);2*5-9H,10-12H2,1-4H3,(H,22,23);4-5,9,18H,6-8H2,1-3H3,(H,25,26);4-5,7,19H,6,8-9H2,1-3H3,(H,23,24);4-6,19H,7-9H2,1-3H3,(H,23,24);4-8,19H,9-11H2,1-3H3,(H,21,22)
• InChIKey: FGDOXVLRRWDSFU-UHFFFAOYSA-N
• XLogP: 52.83
• TPSA: 561.89 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 297
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4020.02
LogP ≤ 5	52.83
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one?

The IUPAC name of 4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one (CID 158021843) is 4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one.

What is the SMILES notation for 4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one?

The canonical SMILES for 4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one is Cc1[nH]nc2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(C)(c1ccccc1F)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1c(F)cccc1F)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1cc(F)ccc1F)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1cccc(F)c1C)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1cnccc1C(F)(F)F)C1=C(C2)CC(C)(C)CC1=O.Cc1cc(F)ccc1C1C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.Cc1ccc(F)cc1C1C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.Cc1ccc(F)cc1C1C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.Cc1ccccc1C1C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.

What is the InChIKey of 4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one?

The InChIKey is FGDOXVLRRWDSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/5C21H23FN2O.3C21H24N2O.C20H20F3N3O.2C20H20F2N2O.C20H22N2O/c1-11-7-14(22)5-6-15(11)20-18-12(2)23-24-16(18)8-13-9-21(3,4)10-17(25)19(13)20;2*1-11-5-6-14(22)8-15(11)20-18-12(2)23-24-16(18)7-13-9-21(3,4)10-17(25)19(13)20;1-11-14(6-5-7-15(11)22)20-18-12(2)23-24-16(18)8-13-9-21(3,4)10-17(25)19(13)20;1-12-18-16(24-23-12)9-13-10-20(2,3)11-17(25)19(13)21(18,4)14-7-5-6-8-15(14)22;1-12-7-5-6-8-15(12)20-18-13(2)22-23-16(18)9-14-10-21(3,4)11-17(24)19(14)20;2*1-13-18-16(23-22-13)10-14-11-20(2,3)12-17(24)19(14)21(18,4)15-8-6-5-7-9-15;1-10-16-14(26-25-10)6-11-7-19(2,3)8-15(27)17(11)18(16)12-9-24-5-4-13(12)20(21,22)23;1-10-17-15(24-23-10)6-11-8-20(2,3)9-16(25)18(11)19(17)13-7-12(21)4-5-14(13)22;1-10-16-14(24-23-10)7-11-8-20(2,3)9-15(25)17(11)19(16)18-12(21)5-4-6-13(18)22;1-12-17-15(22-21-12)9-14-10-20(2,3)11-16(23)18(14)19(17)13-7-5-4-6-8-13/h5-7,20H,8-10H2,1-4H3,(H,23,24);2*5-6,8,20H,7,9-10H2,1-4H3,(H,23,24);5-7,20H,8-10H2,1-4H3,(H,23,24);5-8H,9-11H2,1-4H3,(H,23,24);5-8,20H,9-11H2,1-4H3,(H,22,23);2*5-9H,10-12H2,1-4H3,(H,22,23);4-5,9,18H,6-8H2,1-3H3,(H,25,26);4-5,7,19H,6,8-9H2,1-3H3,(H,23,24);4-6,19H,7-9H2,1-3H3,(H,23,24);4-8,19H,9-11H2,1-3H3,(H,21,22).

What are the key properties of 4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one?

4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one has a molecular weight of 4020.02 g/mol, XLogP of 52.83, 12 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,5-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(2,6-difluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(3-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(4-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(4-(5-fluoro-2-methylphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one);4-(2-fluorophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);3,7,7-trimethyl-4-(2-methylphenyl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one is sourced from PubChem (CID 158021843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158021843 — identifiers, structure, computed properties (public domain)

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