bis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole

C156H201N11O7S — CID 163591997

IUPACbis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole
SMILESC#Cc1ccc(C(C)(C)C)cc1.CC(=O)CCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(-c2ncn[nH]2)cc1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2sccc2c1.Cc1cc2cc(C(C)(C)C)ccc2o1.Cc1nc2ccc(C(C)(C)C)cc2[nH]1.Cn1ccc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C14H20O.C13H17N.C13H16O.C12H15N3.C12H16N2.C12H15N.C12H16O.C12H14S.C12H14.C11H14N2.2C11H15NO.C11H14O2/c1-11(15)5-6-12-7-9-13(10-8-12)14(2,3)4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-12(2,3)10-6-4-9(5-7-10)11-13-8-14-15-11;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-5-10-6-8-11(9-7-10)12(2,3)4;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h7-10H,5-6H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;4-8H,1-3H3,(H,13,14,15);5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;1,6-9H,2-4H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3,(H2,12,13);4-6H,7H2,1-3H3
InChIKeyGQGRZOWULSLQRU-UHFFFAOYSA-N
MW2374.46 g/mol
LogP40.25
Rot. Bonds6

About bis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole

bis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole (PubChem CID 163591997) has the molecular formula C156H201N11O7S and a molecular weight of 2374.46 g/mol. Its IUPAC name is bis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Namebis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole
PubChem CID163591997
Molecular FormulaC156H201N11O7S
Molecular Weight2374.46 g/mol
Exact Mass2372.54
IUPAC Namebis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole
SMILESC#Cc1ccc(C(C)(C)C)cc1.CC(=O)CCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(-c2ncn[nH]2)cc1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2sccc2c1.Cc1cc2cc(C(C)(C)C)ccc2o1.Cc1nc2ccc(C(C)(C)C)cc2[nH]1.Cn1ccc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C14H20O.C13H17N.C13H16O.C12H15N3.C12H16N2.C12H15N.C12H16O.C12H14S.C12H14.C11H14N2.2C11H15NO.C11H14O2/c1-11(15)5-6-12-7-9-13(10-8-12)14(2,3)4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-12(2,3)10-6-4-9(5-7-10)11-13-8-14-15-11;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-5-10-6-8-11(9-7-10)12(2,3)4;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h7-10H,5-6H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;4-8H,1-3H3,(H,13,14,15);5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;1,6-9H,2-4H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3,(H2,12,13);4-6H,7H2,1-3H3
InChIKeyGQGRZOWULSLQRU-UHFFFAOYSA-N
XLogP40.25
TPSA263.73 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002374.46
LogP ≤ 540.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze bis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole?
The IUPAC name of bis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole (CID 163591997) is bis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for bis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole?
The canonical SMILES for bis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole is C#Cc1ccc(C(C)(C)C)cc1.CC(=O)CCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(-c2ncn[nH]2)cc1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2sccc2c1.Cc1cc2cc(C(C)(C)C)ccc2o1.Cc1nc2ccc(C(C)(C)C)cc2[nH]1.Cn1ccc2ccc(C(C)(C)C)cc21.
What is the InChIKey of bis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole?
The InChIKey is GQGRZOWULSLQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O.C13H17N.C13H16O.C12H15N3.C12H16N2.C12H15N.C12H16O.C12H14S.C12H14.C11H14N2.2C11H15NO.C11H14O2/c1-11(15)5-6-12-7-9-13(10-8-12)14(2,3)4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-12(2,3)10-6-4-9(5-7-10)11-13-8-14-15-11;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-5-10-6-8-11(9-7-10)12(2,3)4;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h7-10H,5-6H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;4-8H,1-3H3,(H,13,14,15);5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;1,6-9H,2-4H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3,(H2,12,13);4-6H,7H2,1-3H3.
What are the key properties of bis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole?
bis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole has a molecular weight of 2374.46 g/mol, XLogP of 40.25, 6 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 163591997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).