5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole

C157H203N15O10S — CID 159087919

IUPAC5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole
SMILESCC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)C(C)(C)C(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CS(=O)(=O)N2.CC(C)(C)c1ccc2n[nH]nc2c1.Cc1c[nH]c2ccc(C(C)C)cc12.Cc1cc(O)ccc1C(C)(C)C.Cc1cc2cc(C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C14H19NO.2C13H17NO.C13H15NO.C13H17N.3C12H15NO.C12H15N.C11H14N2.C11H15NO2S.C11H16O.C10H13N3/c1-13(2,3)9-6-7-11-10(8-9)14(4,5)12(16)15-11;3*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;3*1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-8(2)10-4-5-12-11(6-10)9(3)7-13-12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-4-5-10-8(6-9)7-15(13,14)12-10;1-8-7-9(12)5-6-10(8)11(2,3)4;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h6-8H,1-5H3,(H,15,16);2*5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);5-8,14H,1-4H3;3*4-6H,7H2,1-3H3,(H,13,14);4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6,12H,7H2,1-3H3;5-7,12H,1-4H3;4-6H,1-3H3,(H,11,12,13)
InChIKeyKBRJUYIIJBHISB-UHFFFAOYSA-N
MW2492.51 g/mol
LogP36.94
Rot. Bonds1

About 5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole

5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole (PubChem CID 159087919) has the molecular formula C157H203N15O10S and a molecular weight of 2492.51 g/mol. Its IUPAC name is 5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole
PubChem CID159087919
Molecular FormulaC157H203N15O10S
Molecular Weight2492.51 g/mol
Exact Mass2490.56
IUPAC Name5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole
SMILESCC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)C(C)(C)C(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CS(=O)(=O)N2.CC(C)(C)c1ccc2n[nH]nc2c1.Cc1c[nH]c2ccc(C(C)C)cc12.Cc1cc(O)ccc1C(C)(C)C.Cc1cc2cc(C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C14H19NO.2C13H17NO.C13H15NO.C13H17N.3C12H15NO.C12H15N.C11H14N2.C11H15NO2S.C11H16O.C10H13N3/c1-13(2,3)9-6-7-11-10(8-9)14(4,5)12(16)15-11;3*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;3*1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-8(2)10-4-5-12-11(6-10)9(3)7-13-12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-4-5-10-8(6-9)7-15(13,14)12-10;1-8-7-9(12)5-6-10(8)11(2,3)4;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h6-8H,1-5H3,(H,15,16);2*5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);5-8,14H,1-4H3;3*4-6H,7H2,1-3H3,(H,13,14);4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6,12H,7H2,1-3H3;5-7,12H,1-4H3;4-6H,1-3H3,(H,11,12,13)
InChIKeyKBRJUYIIJBHISB-UHFFFAOYSA-N
XLogP36.94
TPSA375.69 Ų
H-Bond Donors13
H-Bond Acceptors13
Rotatable Bonds1
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002492.51
LogP ≤ 536.94
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1013

Analyze 5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole with MolForge

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

Launch Full Analysis

Related Compounds

6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-3-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane
CID 157606865
5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole
CID 158398838
6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole
CID 159217477
5-fluoro-3-propan-2-yl-1H-indole;methane;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one
CID 161262915
5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one
CID 162027455

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole?
The IUPAC name of 5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole (CID 159087919) is 5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole.
What is the SMILES notation for 5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole?
The canonical SMILES for 5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole is CC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)C(C)(C)C(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CS(=O)(=O)N2.CC(C)(C)c1ccc2n[nH]nc2c1.Cc1c[nH]c2ccc(C(C)C)cc12.Cc1cc(O)ccc1C(C)(C)C.Cc1cc2cc(C(C)(C)C)ccc2[nH]1.
What is the InChIKey of 5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole?
The InChIKey is KBRJUYIIJBHISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.2C13H17NO.C13H15NO.C13H17N.3C12H15NO.C12H15N.C11H14N2.C11H15NO2S.C11H16O.C10H13N3/c1-13(2,3)9-6-7-11-10(8-9)14(4,5)12(16)15-11;3*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;3*1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-8(2)10-4-5-12-11(6-10)9(3)7-13-12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-4-5-10-8(6-9)7-15(13,14)12-10;1-8-7-9(12)5-6-10(8)11(2,3)4;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h6-8H,1-5H3,(H,15,16);2*5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);5-8,14H,1-4H3;3*4-6H,7H2,1-3H3,(H,13,14);4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6,12H,7H2,1-3H3;5-7,12H,1-4H3;4-6H,1-3H3,(H,11,12,13).
What are the key properties of 5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole?
5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole has a molecular weight of 2492.51 g/mol, XLogP of 36.94, 1 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tris(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-2-methyl-1H-indole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;3-methyl-5-propan-2-yl-1H-indole is sourced from PubChem (CID 159087919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).