5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one

C132H166N12O8S — CID 158868195

IUPAC5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one
SMILESCC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.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)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CS(=O)(=O)N2
InChIInChI=1S/C13H17NO.C13H15NO.4C12H15NO.3C12H15N.C11H14N2.C11H15NO2S/c2*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;4*1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;3*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;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/h5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4*4-6H,7H2,1-3H3,(H,13,14);4-5,7-8H,6H2,1-3H3;2*4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6,12H,7H2,1-3H3
InChIKeyJBMZAYBSLDYVMU-UHFFFAOYSA-N
MW2080.92 g/mol
LogP30.88
Rot. Bonds

About 5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one

5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one (PubChem CID 158868195) has the molecular formula C132H166N12O8S and a molecular weight of 2080.92 g/mol. Its IUPAC name is 5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one.

Molecular Properties

Compound Name5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one
PubChem CID158868195
Molecular FormulaC132H166N12O8S
Molecular Weight2080.92 g/mol
Exact Mass2079.27
IUPAC Name5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one
SMILESCC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.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)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CS(=O)(=O)N2
InChIInChI=1S/C13H17NO.C13H15NO.4C12H15NO.3C12H15N.C11H14N2.C11H15NO2S/c2*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;4*1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;3*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;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/h5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4*4-6H,7H2,1-3H3,(H,13,14);4-5,7-8H,6H2,1-3H3;2*4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6,12H,7H2,1-3H3
InChIKeyJBMZAYBSLDYVMU-UHFFFAOYSA-N
XLogP30.88
TPSA297.15 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002080.92
LogP ≤ 530.88
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze 5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one?
The IUPAC name of 5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one (CID 158868195) is 5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one.
What is the SMILES notation for 5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one?
The canonical SMILES for 5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one is CC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.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)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CS(=O)(=O)N2.
What is the InChIKey of 5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one?
The InChIKey is JBMZAYBSLDYVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C13H15NO.4C12H15NO.3C12H15N.C11H14N2.C11H15NO2S/c2*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;4*1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;3*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;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/h5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4*4-6H,7H2,1-3H3,(H,13,14);4-5,7-8H,6H2,1-3H3;2*4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6,12H,7H2,1-3H3.
What are the key properties of 5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one?
5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one has a molecular weight of 2080.92 g/mol, XLogP of 30.88, 0 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;tetrakis(5-tert-butyl-1,3-dihydroindol-2-one);6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;bis(5-tert-butyl-1H-indole);5-tert-butyl-3H-indole;6-tert-butyl-1H-quinolin-2-one is sourced from PubChem (CID 158868195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).