(4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane

C129H144N16O15 — CID 158358458

IUPAC(4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane
SMILESC.CC1(C)C(=O)/C(=C\O)C[C@]2(C)C(=O)c3cnn(-c4ccccc4)c3C[C@@H]12.CC1(C)C(=O)CC[C@]2(C)C(=O)c3cnn(-c4ccccc4)c3C[C@@H]12.CC1(C)[C@@H]2Cc3c(cnn3-c3ccccc3)C(=O)[C@@]2(C)CCC12OCCO2.CC1(C)c2oncc2C[C@]2(C)C(=O)c3cnn(-c4ccccc4)c3C[C@@H]12.CNO.[3H]C.[C-]#[N+]C1=C(O)C(C)(C)[C@@H]2Cc3c(cnn3-c3ccccc3)C(=O)[C@@]2(C)C1.[C-]#[N+]C1=C[C@]2(C)C(=O)c3cnn(-c4ccccc4)c3C[C@H]2C(C)(C)C1=O
InChIInChI=1S/C22H26N2O3.2C21H21N3O2.C21H19N3O2.C21H22N2O3.C20H22N2O2.CH5NO.2CH4/c1-20(2)18-13-17-16(14-23-24(17)15-7-5-4-6-8-15)19(25)21(18,3)9-10-22(20)26-11-12-27-22;1-20(2)17-9-16-15(12-22-24(16)14-7-5-4-6-8-14)18(25)21(17,3)10-13-11-23-26-19(13)20;2*1-20(2)17-10-16-14(12-23-24(16)13-8-6-5-7-9-13)18(25)21(17,3)11-15(22-4)19(20)26;1-20(2)17-9-16-15(11-22-23(16)14-7-5-4-6-8-14)19(26)21(17,3)10-13(12-24)18(20)25;1-19(2)16-11-15-14(18(24)20(16,3)10-9-17(19)23)12-21-22(15)13-7-5-4-6-8-13;1-2-3;;/h4-8,14,18H,9-13H2,1-3H3;4-8,11-12,17H,9-10H2,1-3H3;5-9,12,17,26H,10-11H2,1-3H3;5-9,11-12,17H,10H2,1-3H3;4-8,11-12,17,24H,9-10H2,1-3H3;4-8,12,16H,9-11H2,1-3H3;2-3H,1H3;2*1H4/b;;;;13-12-;;;;/t18-,21-;4*17-,21-;16-,20-;;;/m000000.../s1/i;;;;;;;1T;
InChIKeyGTECLWNGYUAUDS-KFIAVEEUSA-N
MW2160.68 g/mol
LogP23.71
Rot. Bonds6

About (4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane

(4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane (PubChem CID 158358458) has the molecular formula C129H144N16O15 and a molecular weight of 2160.68 g/mol. Its IUPAC name is (4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane.

Molecular Properties

Compound Name(4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane
PubChem CID158358458
Molecular FormulaC129H144N16O15
Molecular Weight2160.68 g/mol
Exact Mass2159.11
IUPAC Name(4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane
SMILESC.CC1(C)C(=O)/C(=C\O)C[C@]2(C)C(=O)c3cnn(-c4ccccc4)c3C[C@@H]12.CC1(C)C(=O)CC[C@]2(C)C(=O)c3cnn(-c4ccccc4)c3C[C@@H]12.CC1(C)[C@@H]2Cc3c(cnn3-c3ccccc3)C(=O)[C@@]2(C)CCC12OCCO2.CC1(C)c2oncc2C[C@]2(C)C(=O)c3cnn(-c4ccccc4)c3C[C@@H]12.CNO.[3H]C.[C-]#[N+]C1=C(O)C(C)(C)[C@@H]2Cc3c(cnn3-c3ccccc3)C(=O)[C@@]2(C)C1.[C-]#[N+]C1=C[C@]2(C)C(=O)c3cnn(-c4ccccc4)c3C[C@H]2C(C)(C)C1=O
InChIInChI=1S/C22H26N2O3.2C21H21N3O2.C21H19N3O2.C21H22N2O3.C20H22N2O2.CH5NO.2CH4/c1-20(2)18-13-17-16(14-23-24(17)15-7-5-4-6-8-15)19(25)21(18,3)9-10-22(20)26-11-12-27-22;1-20(2)17-9-16-15(12-22-24(16)14-7-5-4-6-8-14)18(25)21(17,3)10-13-11-23-26-19(13)20;2*1-20(2)17-10-16-14(12-23-24(16)13-8-6-5-7-9-13)18(25)21(17,3)11-15(22-4)19(20)26;1-20(2)17-9-16-15(11-22-23(16)14-7-5-4-6-8-14)19(26)21(17,3)10-13(12-24)18(20)25;1-19(2)16-11-15-14(18(24)20(16,3)10-9-17(19)23)12-21-22(15)13-7-5-4-6-8-13;1-2-3;;/h4-8,14,18H,9-13H2,1-3H3;4-8,11-12,17H,9-10H2,1-3H3;5-9,12,17,26H,10-11H2,1-3H3;5-9,11-12,17H,10H2,1-3H3;4-8,11-12,17,24H,9-10H2,1-3H3;4-8,12,16H,9-11H2,1-3H3;2-3H,1H3;2*1H4/b;;;;13-12-;;;;/t18-,21-;4*17-,21-;16-,20-;;;/m000000.../s1/i;;;;;;;1T;
InChIKeyGTECLWNGYUAUDS-KFIAVEEUSA-N
XLogP23.71
TPSA386.48 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds6
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002160.68
LogP ≤ 523.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane?
The IUPAC name of (4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane (CID 158358458) is (4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane.
What is the SMILES notation for (4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane?
The canonical SMILES for (4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane is C.CC1(C)C(=O)/C(=C\O)C[C@]2(C)C(=O)c3cnn(-c4ccccc4)c3C[C@@H]12.CC1(C)C(=O)CC[C@]2(C)C(=O)c3cnn(-c4ccccc4)c3C[C@@H]12.CC1(C)[C@@H]2Cc3c(cnn3-c3ccccc3)C(=O)[C@@]2(C)CCC12OCCO2.CC1(C)c2oncc2C[C@]2(C)C(=O)c3cnn(-c4ccccc4)c3C[C@@H]12.CNO.[3H]C.[C-]#[N+]C1=C(O)C(C)(C)[C@@H]2Cc3c(cnn3-c3ccccc3)C(=O)[C@@]2(C)C1.[C-]#[N+]C1=C[C@]2(C)C(=O)c3cnn(-c4ccccc4)c3C[C@H]2C(C)(C)C1=O.
What is the InChIKey of (4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane?
The InChIKey is GTECLWNGYUAUDS-KFIAVEEUSA-N. The full InChI is InChI=1S/C22H26N2O3.2C21H21N3O2.C21H19N3O2.C21H22N2O3.C20H22N2O2.CH5NO.2CH4/c1-20(2)18-13-17-16(14-23-24(17)15-7-5-4-6-8-15)19(25)21(18,3)9-10-22(20)26-11-12-27-22;1-20(2)17-9-16-15(12-22-24(16)14-7-5-4-6-8-14)18(25)21(17,3)10-13-11-23-26-19(13)20;2*1-20(2)17-10-16-14(12-23-24(16)13-8-6-5-7-9-13)18(25)21(17,3)11-15(22-4)19(20)26;1-20(2)17-9-16-15(11-22-23(16)14-7-5-4-6-8-14)19(26)21(17,3)10-13(12-24)18(20)25;1-19(2)16-11-15-14(18(24)20(16,3)10-9-17(19)23)12-21-22(15)13-7-5-4-6-8-13;1-2-3;;/h4-8,14,18H,9-13H2,1-3H3;4-8,11-12,17H,9-10H2,1-3H3;5-9,12,17,26H,10-11H2,1-3H3;5-9,11-12,17H,10H2,1-3H3;4-8,11-12,17,24H,9-10H2,1-3H3;4-8,12,16H,9-11H2,1-3H3;2-3H,1H3;2*1H4/b;;;;13-12-;;;;/t18-,21-;4*17-,21-;16-,20-;;;/m000000.../s1/i;;;;;;;1T;.
What are the key properties of (4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane?
(4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane has a molecular weight of 2160.68 g/mol, XLogP of 23.71, 6 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9aS)-4a,10,10-trimethyl-8-phenyl-9,9a-dihydro-4H-indazolo[5,6-f][1,2]benzoxazol-5-one;(4aS,8aS)-4a,8,8-trimethyl-1-phenyl-5,6,8a,9-tetrahydrobenzo[f]indazole-4,7-dione;(4'aS,8'aS)-4'a,8',8'-trimethyl-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8a,9-tetrahydrobenzo[f]indazole]-4'-one;(4aS,8aS)-7-hydroxy-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazol-4-one;(4aS,6Z,8aS)-6-(hydroxymethylidene)-4a,8,8-trimethyl-1-phenyl-8a,9-dihydro-5H-benzo[f]indazole-4,7-dione;(4aR,8aS)-6-isocyano-4a,8,8-trimethyl-1-phenyl-8a,9-dihydrobenzo[f]indazole-4,7-dione;methane;N-methylhydroxylamine;tritiomethane is sourced from PubChem (CID 158358458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).