bis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one

C134H190N18O10 — CID 167632080

IUPACbis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one
SMILESC=C1C2=C(NN1C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2.COc1c2c(nn1C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2.C[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4cnn(C)c4)c3CC[C@@H]12.Cc1c2c(nn1C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2.Cc1c2c(nn1C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2.Cc1c2c(nn1C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC2.Cc1nn(C)c2c1CC[C@H]1[C@H](C)C(=O)CC[C@]21C.Cn1nc2c(c1C(=O)c1ccccc1)CC[C@H]1C(C)(C)C(=O)CC[C@]21C
InChIInChI=1S/C22H26N2O2.C18H24N4O.C16H24N2O2.3C16H24N2O.2C15H22N2O/c1-21(2)16-11-10-15-18(19(26)14-8-6-5-7-9-14)24(4)23-20(15)22(16,3)13-12-17(21)25;1-11-14-6-5-13-16(12-9-19-21(3)10-12)22(4)20-17(13)18(14,2)8-7-15(11)23;1-15(2)11-7-6-10-13(17-18(4)14(10)20-5)16(11,3)9-8-12(15)19;3*1-10-11-6-7-12-15(2,3)13(19)8-9-16(12,4)14(11)17-18(10)5;1-9-12-6-5-11-10(2)17(4)16-14(11)15(12,3)8-7-13(9)18;1-9-12-6-5-11-10(2)16-17(4)14(11)15(12,3)8-7-13(9)18/h5-9,16H,10-13H2,1-4H3;9-11,14H,5-8H2,1-4H3;11H,6-9H2,1-5H3;2*12H,6-9H2,1-5H3;12,17H,1,6-9H2,2-5H3;2*9,12H,5-8H2,1-4H3/t16-,22-;11-,14-,18-;11-,16-;3*12-,16-;2*9-,12-,15-/m00000000/s1
InChIKeyNYKDVEOVLZNOEO-FYHNIMSBSA-N
MW2213.11 g/mol
LogP23.12
Rot. Bonds4

About bis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one

bis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one (PubChem CID 167632080) has the molecular formula C134H190N18O10 and a molecular weight of 2213.11 g/mol. Its IUPAC name is bis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one.

Molecular Properties

Compound Namebis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one
PubChem CID167632080
Molecular FormulaC134H190N18O10
Molecular Weight2213.11 g/mol
Exact Mass2211.49
IUPAC Namebis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one
SMILESC=C1C2=C(NN1C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2.COc1c2c(nn1C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2.C[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4cnn(C)c4)c3CC[C@@H]12.Cc1c2c(nn1C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2.Cc1c2c(nn1C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2.Cc1c2c(nn1C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC2.Cc1nn(C)c2c1CC[C@H]1[C@H](C)C(=O)CC[C@]21C.Cn1nc2c(c1C(=O)c1ccccc1)CC[C@H]1C(C)(C)C(=O)CC[C@]21C
InChIInChI=1S/C22H26N2O2.C18H24N4O.C16H24N2O2.3C16H24N2O.2C15H22N2O/c1-21(2)16-11-10-15-18(19(26)14-8-6-5-7-9-14)24(4)23-20(15)22(16,3)13-12-17(21)25;1-11-14-6-5-13-16(12-9-19-21(3)10-12)22(4)20-17(13)18(14,2)8-7-15(11)23;1-15(2)11-7-6-10-13(17-18(4)14(10)20-5)16(11,3)9-8-12(15)19;3*1-10-11-6-7-12-15(2,3)13(19)8-9-16(12,4)14(11)17-18(10)5;1-9-12-6-5-11-10(2)17(4)16-14(11)15(12,3)8-7-13(9)18;1-9-12-6-5-11-10(2)16-17(4)14(11)15(12,3)8-7-13(9)18/h5-9,16H,10-13H2,1-4H3;9-11,14H,5-8H2,1-4H3;11H,6-9H2,1-5H3;2*12H,6-9H2,1-5H3;12,17H,1,6-9H2,2-5H3;2*9,12H,5-8H2,1-4H3/t16-,22-;11-,14-,18-;11-,16-;3*12-,16-;2*9-,12-,15-/m00000000/s1
InChIKeyNYKDVEOVLZNOEO-FYHNIMSBSA-N
XLogP23.12
TPSA320.69 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds4
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002213.11
LogP ≤ 523.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze bis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one with MolForge

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Related Compounds

1-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-5-methyl-6,7-dihydro-5H-indazol-4-one;2-[(4-methoxyphenyl)methyl]-7-methyl-6,7-dihydro-5H-indazol-4-one;5-methyl-1,5,6,7-tetrahydroindazol-4-one;7-methyl-1,5,6,7-tetrahydroindazol-4-one;5-methyl-1,5,6,7-tetrahydroisoindol-4-one
CID 157437646
(5aR,9aR)-3-benzoyl-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(2-methyltetrazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(3-methylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one
CID 158398460
(5aR,9aR)-3-benzoyl-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(2-methyltetrazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(3-methylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one
CID 161036262
(5aR,9aR)-3-benzoyl-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-3-(3-fluorophenyl)-8-isocyano-2,6,9a-trimethyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(2-methyltetrazol-5-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-3-(1-methyl-1,2,4-triazol-3-yl)-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(3-methylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aS,6S,9aR)-8-isocyano-2,6,9a-trimethyl-3-(2-methyltetrazol-5-yl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-3-methoxy-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one
CID 161160086
3-ethoxy-1-phenylbenzo[g]indazole-4,5-dione;2-ethyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;3-methylidene-1-phenyl-2H-benzo[g]indazole-4,5-dione;2-methyl-3-methylidene-1-phenylbenzo[g]indazole-4,5-dione;1-methyl-3-methylidene-2-propan-2-ylbenzo[g]indazole-4,5-dione;3-methyl-1-phenylbenzo[g]indazole-4,5-dione;3-methyl-2-propan-2-ylbenzo[g]indazole-4,5-dione;1-phenyl-3-propan-2-yloxybenzo[g]indazole-4,5-dione
CID 167573332

Frequently Asked Questions

What is the IUPAC name of bis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one?
The IUPAC name of bis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one (CID 167632080) is bis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one.
What is the SMILES notation for bis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one?
The canonical SMILES for bis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one is C=C1C2=C(NN1C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2.COc1c2c(nn1C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2.C[C@@H]1C(=O)CC[C@]2(C)c3nn(C)c(-c4cnn(C)c4)c3CC[C@@H]12.Cc1c2c(nn1C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2.Cc1c2c(nn1C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2.Cc1c2c(nn1C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC2.Cc1nn(C)c2c1CC[C@H]1[C@H](C)C(=O)CC[C@]21C.Cn1nc2c(c1C(=O)c1ccccc1)CC[C@H]1C(C)(C)C(=O)CC[C@]21C.
What is the InChIKey of bis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one?
The InChIKey is NYKDVEOVLZNOEO-FYHNIMSBSA-N. The full InChI is InChI=1S/C22H26N2O2.C18H24N4O.C16H24N2O2.3C16H24N2O.2C15H22N2O/c1-21(2)16-11-10-15-18(19(26)14-8-6-5-7-9-14)24(4)23-20(15)22(16,3)13-12-17(21)25;1-11-14-6-5-13-16(12-9-19-21(3)10-12)22(4)20-17(13)18(14,2)8-7-15(11)23;1-15(2)11-7-6-10-13(17-18(4)14(10)20-5)16(11,3)9-8-12(15)19;3*1-10-11-6-7-12-15(2,3)13(19)8-9-16(12,4)14(11)17-18(10)5;1-9-12-6-5-11-10(2)17(4)16-14(11)15(12,3)8-7-13(9)18;1-9-12-6-5-11-10(2)16-17(4)14(11)15(12,3)8-7-13(9)18/h5-9,16H,10-13H2,1-4H3;9-11,14H,5-8H2,1-4H3;11H,6-9H2,1-5H3;2*12H,6-9H2,1-5H3;12,17H,1,6-9H2,2-5H3;2*9,12H,5-8H2,1-4H3/t16-,22-;11-,14-,18-;11-,16-;3*12-,16-;2*9-,12-,15-/m00000000/s1.
What are the key properties of bis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one?
bis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one has a molecular weight of 2213.11 g/mol, XLogP of 23.12, 4 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis((5aR,9aS)-2,3,6,6,9a-pentamethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one);(5aS,6S,9aS)-1,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,3,6,9a-tetramethyl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-2,6,6,9a-tetramethyl-3-methylidene-1,4,5,5a,8,9-hexahydrobenzo[g]indazol-7-one;(5aS,6S,9aS)-2,6,9a-trimethyl-3-(1-methylpyrazol-4-yl)-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one;(5aR,9aS)-3-benzoyl-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one;(5aR,9aS)-3-methoxy-2,6,6,9a-tetramethyl-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one is sourced from PubChem (CID 167632080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).