4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol

C186H246ClFN28O — CID 160723413

IUPAC4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol
SMILESCC(C)(C)c1c(Cl)ccc2[nH]ncc12.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1cc(O)cc2cccnc12.Cc1ccc2[nH]ccc2c1C(C)(C)C.Cc1ccc2[nH]cnc2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cc[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]nc2c1C(C)(C)C
InChIInChI=1S/6C13H18N2.C13H15NO.2C13H17N.3C12H16N2.C11H13ClN2.C11H13FN2.C11H15N3/c6*1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-13(2,3)11-8-10(15)7-9-5-4-6-14-12(9)11;1-9-5-6-11-10(7-8-14-11)12(9)13(2,3)4;1-9-5-6-10-7-8-14-12(10)11(9)13(2,3)4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-11(14-7-13-9)10(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-7-5-6-8-10(13-14-12-8)9(7)11(2,3)4/h6*6-7H,1-5H3,(H,14,15);4-8,15H,1-3H3;2*5-8,14H,1-4H3;3*5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);5-6H,1-4H3,(H,12,13,14)
InChIKeyRTJYNAWZMDDGIO-UHFFFAOYSA-N
MW2944.66 g/mol
LogP50.23
Rot. Bonds

About 4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol

4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol (PubChem CID 160723413) has the molecular formula C186H246ClFN28O and a molecular weight of 2944.66 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol.

Molecular Properties

Compound Name4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol
PubChem CID160723413
Molecular FormulaC186H246ClFN28O
Molecular Weight2944.66 g/mol
Exact Mass2941.97
IUPAC Name4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol
SMILESCC(C)(C)c1c(Cl)ccc2[nH]ncc12.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1cc(O)cc2cccnc12.Cc1ccc2[nH]ccc2c1C(C)(C)C.Cc1ccc2[nH]cnc2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cc[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]nc2c1C(C)(C)C
InChIInChI=1S/6C13H18N2.C13H15NO.2C13H17N.3C12H16N2.C11H13ClN2.C11H13FN2.C11H15N3/c6*1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-13(2,3)11-8-10(15)7-9-5-4-6-14-12(9)11;1-9-5-6-11-10(7-8-14-11)12(9)13(2,3)4;1-9-5-6-10-7-8-14-12(10)11(9)13(2,3)4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-11(14-7-13-9)10(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-7-5-6-8-10(13-14-12-8)9(7)11(2,3)4/h6*6-7H,1-5H3,(H,14,15);4-8,15H,1-3H3;2*5-8,14H,1-4H3;3*5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);5-6H,1-4H3,(H,12,13,14)
InChIKeyRTJYNAWZMDDGIO-UHFFFAOYSA-N
XLogP50.23
TPSA421.75 Ų
H-Bond Donors15
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms217
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002944.66
LogP ≤ 550.23
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1015

Analyze 4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol?
The IUPAC name of 4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol (CID 160723413) is 4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol.
What is the SMILES notation for 4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol?
The canonical SMILES for 4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol is CC(C)(C)c1c(Cl)ccc2[nH]ncc12.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1cc(O)cc2cccnc12.Cc1ccc2[nH]ccc2c1C(C)(C)C.Cc1ccc2[nH]cnc2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cc[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]nc2c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol?
The InChIKey is RTJYNAWZMDDGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/6C13H18N2.C13H15NO.2C13H17N.3C12H16N2.C11H13ClN2.C11H13FN2.C11H15N3/c6*1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-13(2,3)11-8-10(15)7-9-5-4-6-14-12(9)11;1-9-5-6-11-10(7-8-14-11)12(9)13(2,3)4;1-9-5-6-10-7-8-14-12(10)11(9)13(2,3)4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-11(14-7-13-9)10(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-7-5-6-8-10(13-14-12-8)9(7)11(2,3)4/h6*6-7H,1-5H3,(H,14,15);4-8,15H,1-3H3;2*5-8,14H,1-4H3;3*5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);5-6H,1-4H3,(H,12,13,14).
What are the key properties of 4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol?
4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol has a molecular weight of 2944.66 g/mol, XLogP of 50.23, 0 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol is sourced from PubChem (CID 160723413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).