(5aR,9aS)-2,6,6,8,9a-pentamethyl-3-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-2,6,8,9a-tetramethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydro-1H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(1S,9R,12R,14R)-12-isocyano-1,4,10,10-tetramethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one;(1S,9S,10S,12R,14R)-12-isocyano-1,4,10-trimethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one

C163H174N28O12 — CID 159828075

About (5aR,9aS)-2,6,6,8,9a-pentamethyl-3-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-2,6,8,9a-tetramethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydro-1H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(1S,9R,12R,14R)-12-isocyano-1,4,10,10-tetramethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one;(1S,9S,10S,12R,14R)-12-isocyano-1,4,10-trimethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one

(5aR,9aS)-2,6,6,8,9a-pentamethyl-3-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-2,6,8,9a-tetramethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydro-1H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(1S,9R,12R,14R)-12-isocyano-1,4,10,10-tetramethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one;(1S,9S,10S,12R,14R)-12-isocyano-1,4,10-trimethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one (PubChem CID 159828075) has the molecular formula C163H174N28O12 and a molecular weight of 2717.37 g/mol. Its IUPAC name is (5aR,9aS)-2,6,6,8,9a-pentamethyl-3-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-2,6,8,9a-tetramethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydro-1H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(1S,9R,12R,14R)-12-isocyano-1,4,10,10-tetramethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one;(1S,9S,10S,12R,14R)-12-isocyano-1,4,10-trimethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one.

Molecular Properties

• Compound Name: (5aR,9aS)-2,6,6,8,9a-pentamethyl-3-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-2,6,8,9a-tetramethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydro-1H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(1S,9R,12R,14R)-12-isocyano-1,4,10,10-tetramethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one;(1S,9S,10S,12R,14R)-12-isocyano-1,4,10-trimethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one
• PubChem CID: 159828075
• Molecular Formula: C163H174N28O12
• Molecular Weight: 2717.37 g/mol
• Exact Mass: 2715.39
• IUPAC Name: (5aR,9aS)-2,6,6,8,9a-pentamethyl-3-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-2,6,8,9a-tetramethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydro-1H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(1S,9R,12R,14R)-12-isocyano-1,4,10,10-tetramethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one;(1S,9S,10S,12R,14R)-12-isocyano-1,4,10-trimethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one
• SMILES: CC1=C[C@]2(C)c3nn(C)c(-c4ccccc4)c3CC[C@H]2C(C)(C)C1=O.CC1=C[C@]2(C)c3nn(C)c(-c4ccccc4)c3CC[C@H]2[C@H](C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3[nH]nc(-c4ccccc4)c3CC[C@H]2[C@H](C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4cncnc4)c3CC[C@H]2[C@H](C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4nc(C)no4)c3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4nnc(C)o4)c3CC[C@H]2C(C)(C)C1=O.[C-]#[N+][C@@]12O[C@@H]1[C@]1(C)c3nn(C)c(-c4ccccc4)c3CC[C@H]1C(C)(C)C2=O.[C-]#[N+][C@@]12O[C@@H]1[C@]1(C)c3nn(C)c(-c4ccccc4)c3CC[C@H]1[C@H](C)C2=O
• InChI: InChI=1S/C22H23N3O2.C22H26N2O.C21H21N3O2.C21H24N2O.C20H19N3O.2C19H21N5O2.C19H19N5O/c1-20(2)15-12-11-14-16(13-9-7-6-8-10-13)25(5)24-17(14)21(15,3)19-22(23-4,27-19)18(20)26;1-14-13-22(4)17(21(2,3)20(14)25)12-11-16-18(24(5)23-19(16)22)15-9-7-6-8-10-15;1-12-15-11-10-14-16(13-8-6-5-7-9-13)24(4)23-17(14)20(15,2)19-21(22-3,26-19)18(12)25;1-13-12-21(3)17(14(2)19(13)24)11-10-16-18(23(4)22-20(16)21)15-8-6-5-7-9-15;1-12-15-10-9-14-17(13-7-5-4-6-8-13)22-23-19(14)20(15,2)11-16(21-3)18(12)24;1-10-21-22-17(26-10)14-11-7-8-13-18(2,3)16(25)12(20-5)9-19(13,4)15(11)23-24(14)6;1-10-21-17(26-23-10)14-11-7-8-13-18(2,3)16(25)12(20-5)9-19(13,4)15(11)22-24(14)6;1-11-14-6-5-13-16(12-8-21-10-22-9-12)24(4)23-18(13)19(14,2)7-15(20-3)17(11)25/h6-10,15,19H,11-12H2,1-3,5H3;6-10,13,17H,11-12H2,1-5H3;5-9,12,15,19H,10-11H2,1-2,4H3;5-9,12,14,17H,10-11H2,1-4H3;4-8,11-12,15H,9-10H2,1-2H3,(H,22,23);2*9,13H,7-8H2,1-4,6H3;7-11,14H,5-6H2,1-2,4H3/t15-,19+,21-,22-;17-,22-;12-,15-,19+,20-,21-;14-,17-,21-;12-,15-,20-;2*13-,19-;11-,14-,19-/m00000000/s1
• InChIKey: NNCICPSHUJDROO-XQLIZOEASA-N
• XLogP: 27.86
• TPSA: 444.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 8
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2717.37
LogP ≤ 5	27.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of (5aR,9aS)-2,6,6,8,9a-pentamethyl-3-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-2,6,8,9a-tetramethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydro-1H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(1S,9R,12R,14R)-12-isocyano-1,4,10,10-tetramethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one;(1S,9S,10S,12R,14R)-12-isocyano-1,4,10-trimethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one?

The IUPAC name of (5aR,9aS)-2,6,6,8,9a-pentamethyl-3-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-2,6,8,9a-tetramethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydro-1H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(1S,9R,12R,14R)-12-isocyano-1,4,10,10-tetramethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one;(1S,9S,10S,12R,14R)-12-isocyano-1,4,10-trimethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one (CID 159828075) is (5aR,9aS)-2,6,6,8,9a-pentamethyl-3-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-2,6,8,9a-tetramethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydro-1H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(1S,9R,12R,14R)-12-isocyano-1,4,10,10-tetramethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one;(1S,9S,10S,12R,14R)-12-isocyano-1,4,10-trimethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one.

What is the SMILES notation for (5aR,9aS)-2,6,6,8,9a-pentamethyl-3-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-2,6,8,9a-tetramethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydro-1H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(1S,9R,12R,14R)-12-isocyano-1,4,10,10-tetramethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one;(1S,9S,10S,12R,14R)-12-isocyano-1,4,10-trimethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one?

The canonical SMILES for (5aR,9aS)-2,6,6,8,9a-pentamethyl-3-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-2,6,8,9a-tetramethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydro-1H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(1S,9R,12R,14R)-12-isocyano-1,4,10,10-tetramethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one;(1S,9S,10S,12R,14R)-12-isocyano-1,4,10-trimethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one is CC1=C[C@]2(C)c3nn(C)c(-c4ccccc4)c3CC[C@H]2C(C)(C)C1=O.CC1=C[C@]2(C)c3nn(C)c(-c4ccccc4)c3CC[C@H]2[C@H](C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3[nH]nc(-c4ccccc4)c3CC[C@H]2[C@H](C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4cncnc4)c3CC[C@H]2[C@H](C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4nc(C)no4)c3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(-c4nnc(C)o4)c3CC[C@H]2C(C)(C)C1=O.[C-]#[N+][C@@]12O[C@@H]1[C@]1(C)c3nn(C)c(-c4ccccc4)c3CC[C@H]1C(C)(C)C2=O.[C-]#[N+][C@@]12O[C@@H]1[C@]1(C)c3nn(C)c(-c4ccccc4)c3CC[C@H]1[C@H](C)C2=O.

What is the InChIKey of (5aR,9aS)-2,6,6,8,9a-pentamethyl-3-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-2,6,8,9a-tetramethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydro-1H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(1S,9R,12R,14R)-12-isocyano-1,4,10,10-tetramethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one;(1S,9S,10S,12R,14R)-12-isocyano-1,4,10-trimethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one?

The InChIKey is NNCICPSHUJDROO-XQLIZOEASA-N. The full InChI is InChI=1S/C22H23N3O2.C22H26N2O.C21H21N3O2.C21H24N2O.C20H19N3O.2C19H21N5O2.C19H19N5O/c1-20(2)15-12-11-14-16(13-9-7-6-8-10-13)25(5)24-17(14)21(15,3)19-22(23-4,27-19)18(20)26;1-14-13-22(4)17(21(2,3)20(14)25)12-11-16-18(24(5)23-19(16)22)15-9-7-6-8-10-15;1-12-15-11-10-14-16(13-8-6-5-7-9-13)24(4)23-17(14)20(15,2)19-21(22-3,26-19)18(12)25;1-13-12-21(3)17(14(2)19(13)24)11-10-16-18(23(4)22-20(16)21)15-8-6-5-7-9-15;1-12-15-10-9-14-17(13-7-5-4-6-8-13)22-23-19(14)20(15,2)11-16(21-3)18(12)24;1-10-21-22-17(26-10)14-11-7-8-13-18(2,3)16(25)12(20-5)9-19(13,4)15(11)23-24(14)6;1-10-21-17(26-23-10)14-11-7-8-13-18(2,3)16(25)12(20-5)9-19(13,4)15(11)22-24(14)6;1-11-14-6-5-13-16(12-8-21-10-22-9-12)24(4)23-18(13)19(14,2)7-15(20-3)17(11)25/h6-10,15,19H,11-12H2,1-3,5H3;6-10,13,17H,11-12H2,1-5H3;5-9,12,15,19H,10-11H2,1-2,4H3;5-9,12,14,17H,10-11H2,1-4H3;4-8,11-12,15H,9-10H2,1-2H3,(H,22,23);2*9,13H,7-8H2,1-4,6H3;7-11,14H,5-6H2,1-2,4H3/t15-,19+,21-,22-;17-,22-;12-,15-,19+,20-,21-;14-,17-,21-;12-,15-,20-;2*13-,19-;11-,14-,19-/m00000000/s1.

What are the key properties of (5aR,9aS)-2,6,6,8,9a-pentamethyl-3-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-2,6,8,9a-tetramethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydro-1H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(1S,9R,12R,14R)-12-isocyano-1,4,10,10-tetramethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one;(1S,9S,10S,12R,14R)-12-isocyano-1,4,10-trimethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one?

(5aR,9aS)-2,6,6,8,9a-pentamethyl-3-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-2,6,8,9a-tetramethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydro-1H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(1S,9R,12R,14R)-12-isocyano-1,4,10,10-tetramethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one;(1S,9S,10S,12R,14R)-12-isocyano-1,4,10-trimethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one has a molecular weight of 2717.37 g/mol, XLogP of 27.86, 8 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (5aR,9aS)-2,6,6,8,9a-pentamethyl-3-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-2,6,8,9a-tetramethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydro-1H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-pyrimidin-5-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(1S,9R,12R,14R)-12-isocyano-1,4,10,10-tetramethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one;(1S,9S,10S,12R,14R)-12-isocyano-1,4,10-trimethyl-5-phenyl-13-oxa-3,4-diazatetracyclo[7.5.0.02,6.012,14]tetradeca-2,5-dien-11-one is sourced from PubChem (CID 159828075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).