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

C289H314F13N29O14 — CID 157480948

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

4-deuterio-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[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;4-(2-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);(4S)-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-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one (PubChem CID 157480948) has the molecular formula C289H314F13N29O14 and a molecular weight of 4665.86 g/mol. Its IUPAC name is 4-deuterio-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[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;4-(2-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);(4S)-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-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one.

Molecular Properties

• Compound Name: 4-deuterio-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[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;4-(2-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);(4S)-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-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
• PubChem CID: 157480948
• Molecular Formula: C289H314F13N29O14
• Molecular Weight: 4665.86 g/mol
• Exact Mass: 4662.46
• IUPAC Name: 4-deuterio-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[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;4-(2-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);(4S)-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-[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(c1ccccc1F)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1cnccc1C(F)(F)F)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1[C@](C)(c1ccccc1)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.[2H]C1(c2ccccc2)C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O
• InChI: InChI=1S/5C21H23FN2O.4C21H24N2O.C20H20F3N3O.2C20H20F2N2O.C20H21FN2O.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;3*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;1-11-17-15(23-22-11)8-12-9-20(2,3)10-16(24)18(12)19(17)13-6-4-5-7-14(13)21;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);3*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);4-7,19H,8-10H2,1-3H3,(H,22,23);4-8,19H,9-11H2,1-3H3,(H,21,22)/t;;;;;;21-;;;;;;;/m......0......./s1/i;;;;;;;;;;;;;19D
• InChIKey: BWDOGFJDHBSRCC-IMYMHCEOSA-N
• XLogP: 61.33
• TPSA: 653.39 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 29
• Rotatable Bonds: 14
• Heavy Atoms: 345
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4665.86
LogP ≤ 5	61.33
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

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

The IUPAC name of 4-deuterio-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[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;4-(2-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);(4S)-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-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one (CID 157480948) is 4-deuterio-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[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;4-(2-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);(4S)-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-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one.

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

The canonical SMILES for 4-deuterio-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[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;4-(2-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);(4S)-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-[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(c1ccccc1F)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1cnccc1C(F)(F)F)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1[C@](C)(c1ccccc1)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.[2H]C1(c2ccccc2)C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.

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

The InChIKey is BWDOGFJDHBSRCC-IMYMHCEOSA-N. The full InChI is InChI=1S/5C21H23FN2O.4C21H24N2O.C20H20F3N3O.2C20H20F2N2O.C20H21FN2O.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;3*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;1-11-17-15(23-22-11)8-12-9-20(2,3)10-16(24)18(12)19(17)13-6-4-5-7-14(13)21;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);3*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);4-7,19H,8-10H2,1-3H3,(H,22,23);4-8,19H,9-11H2,1-3H3,(H,21,22)/t;;;;;;21-;;;;;;;/m......0......./s1/i;;;;;;;;;;;;;19D.

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

4-deuterio-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[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;4-(2-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);(4S)-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-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one has a molecular weight of 4665.86 g/mol, XLogP of 61.33, 14 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-deuterio-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[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;4-(2-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;bis(3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one);(4S)-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-[4-(trifluoromethyl)-3-pyridinyl]-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one is sourced from PubChem (CID 157480948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).