(5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one

C127H154N21O7+ — CID 159168353

IUPAC(5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one
SMILES[C-]#[N+]C1=C[C@]2(C)c3c(c[nH][n+]3C)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(-c4ccccc4)cc3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C(C)(C)C)cc3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(C)c3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)cc3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C4CCCCC4)cc3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(CC)cc3CC[C@H]2C(C)(C)C1=O
InChIInChI=1S/C21H27N3O.C21H21N3O.C19H25N3O.2C17H21N3O.2C16H19N3O/c2*1-20(2)17-11-10-14-13-24(15-8-6-5-7-9-15)23-18(14)21(17,3)12-16(22-4)19(20)25;1-17(2,3)22-11-12-8-9-14-18(4,5)16(23)13(20-7)10-19(14,6)15(12)21-22;1-10-11-7-8-13-16(2,3)15(21)12(18-5)9-17(13,4)14(11)19-20(10)6;1-6-20-10-11-7-8-13-16(2,3)15(21)12(18-5)9-17(13,4)14(11)19-20;1-15(2)12-7-6-10-9-19(5)18-13(10)16(12,3)8-11(17-4)14(15)20;1-15(2)12-7-6-10-9-18-19(5)13(10)16(12,3)8-11(17-4)14(15)20/h12-13,15,17H,5-11H2,1-3H3;5-9,12-13,17H,10-11H2,1-3H3;10-11,14H,8-9H2,1-6H3;9,13H,7-8H2,1-4,6H3;9-10,13H,6-8H2,1-4H3;2*8-9,12H,6-7H2,1-3,5H3/p+1/t2*17-,21-;14-,19-;2*13-,17-;2*12-,16-/m0000000/s1
InChIKeyKWZKZOZOEVNXJR-QDXGNARZSA-O
MW2086.77 g/mol
LogP23.41
Rot. Bonds3

About (5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one

(5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one (PubChem CID 159168353) has the molecular formula C127H154N21O7+ and a molecular weight of 2086.77 g/mol. Its IUPAC name is (5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one.

Molecular Properties

Compound Name(5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one
PubChem CID159168353
Molecular FormulaC127H154N21O7+
Molecular Weight2086.77 g/mol
Exact Mass2085.23
IUPAC Name(5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one
SMILES[C-]#[N+]C1=C[C@]2(C)c3c(c[nH][n+]3C)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(-c4ccccc4)cc3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C(C)(C)C)cc3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(C)c3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)cc3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C4CCCCC4)cc3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(CC)cc3CC[C@H]2C(C)(C)C1=O
InChIInChI=1S/C21H27N3O.C21H21N3O.C19H25N3O.2C17H21N3O.2C16H19N3O/c2*1-20(2)17-11-10-14-13-24(15-8-6-5-7-9-15)23-18(14)21(17,3)12-16(22-4)19(20)25;1-17(2,3)22-11-12-8-9-14-18(4,5)16(23)13(20-7)10-19(14,6)15(12)21-22;1-10-11-7-8-13-16(2,3)15(21)12(18-5)9-17(13,4)14(11)19-20(10)6;1-6-20-10-11-7-8-13-16(2,3)15(21)12(18-5)9-17(13,4)14(11)19-20;1-15(2)12-7-6-10-9-19(5)18-13(10)16(12,3)8-11(17-4)14(15)20;1-15(2)12-7-6-10-9-18-19(5)13(10)16(12,3)8-11(17-4)14(15)20/h12-13,15,17H,5-11H2,1-3H3;5-9,12-13,17H,10-11H2,1-3H3;10-11,14H,8-9H2,1-6H3;9,13H,7-8H2,1-4,6H3;9-10,13H,6-8H2,1-4H3;2*8-9,12H,6-7H2,1-3,5H3/p+1/t2*17-,21-;14-,19-;2*13-,17-;2*12-,16-/m0000000/s1
InChIKeyKWZKZOZOEVNXJR-QDXGNARZSA-O
XLogP23.41
TPSA276.60 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds3
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002086.77
LogP ≤ 523.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one?
The IUPAC name of (5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one (CID 159168353) is (5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one.
What is the SMILES notation for (5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one?
The canonical SMILES for (5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one is [C-]#[N+]C1=C[C@]2(C)c3c(c[nH][n+]3C)CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(-c4ccccc4)cc3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C(C)(C)C)cc3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)c(C)c3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C)cc3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(C4CCCCC4)cc3CC[C@H]2C(C)(C)C1=O.[C-]#[N+]C1=C[C@]2(C)c3nn(CC)cc3CC[C@H]2C(C)(C)C1=O.
What is the InChIKey of (5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one?
The InChIKey is KWZKZOZOEVNXJR-QDXGNARZSA-O. The full InChI is InChI=1S/C21H27N3O.C21H21N3O.C19H25N3O.2C17H21N3O.2C16H19N3O/c2*1-20(2)17-11-10-14-13-24(15-8-6-5-7-9-15)23-18(14)21(17,3)12-16(22-4)19(20)25;1-17(2,3)22-11-12-8-9-14-18(4,5)16(23)13(20-7)10-19(14,6)15(12)21-22;1-10-11-7-8-13-16(2,3)15(21)12(18-5)9-17(13,4)14(11)19-20(10)6;1-6-20-10-11-7-8-13-16(2,3)15(21)12(18-5)9-17(13,4)14(11)19-20;1-15(2)12-7-6-10-9-19(5)18-13(10)16(12,3)8-11(17-4)14(15)20;1-15(2)12-7-6-10-9-18-19(5)13(10)16(12,3)8-11(17-4)14(15)20/h12-13,15,17H,5-11H2,1-3H3;5-9,12-13,17H,10-11H2,1-3H3;10-11,14H,8-9H2,1-6H3;9,13H,7-8H2,1-4,6H3;9-10,13H,6-8H2,1-4H3;2*8-9,12H,6-7H2,1-3,5H3/p+1/t2*17-,21-;14-,19-;2*13-,17-;2*12-,16-/m0000000/s1.
What are the key properties of (5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one?
(5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one has a molecular weight of 2086.77 g/mol, XLogP of 23.41, 3 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,9aR)-2-tert-butyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-cyclohexyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-2-ethyl-8-isocyano-6,6,9a-trimethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,3,6,6,9a-pentamethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-2,6,6,9a-tetramethyl-5,5a-dihydro-4H-benzo[g]indazol-7-one;(5aR,9aR)-8-isocyano-1,6,6,9a-tetramethyl-2,4,5,5a-tetrahydrobenzo[g]indazol-1-ium-7-one;(5aR,9aR)-8-isocyano-6,6,9a-trimethyl-2-phenyl-5,5a-dihydro-4H-benzo[g]indazol-7-one is sourced from PubChem (CID 159168353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).