bis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole

C182H250N22O2S2 — CID 159004994

IUPACbis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)NCN2.CC(C)(C)c1ccc2c(c1)NCO2.CC(C)(C)c1ccc2c(c1)NCS2.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2c1CCN2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnccn1.CC(C)(C)c1nccs1
InChIInChI=1S/C12H15N.C12H17N.C12H15N.C11H14N2.C11H16N2.2C11H14N2.C11H15NO.C11H13NO.C11H15NS.2C10H14.3C9H13N.C8H12N2.C7H12N2.C7H11NS/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;3*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;3*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6/h4-5,7-8H,6H2,1-3H3;4-6,13H,7-8H2,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6,12-13H,7H2,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6,12H,7H2,1-3H3;4-7H,1-3H3;4-6,12H,7H2,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyJRUSRBTUZWIBLE-UHFFFAOYSA-N
MW2842.29 g/mol
LogP49.38
Rot. Bonds

About bis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole

bis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole (PubChem CID 159004994) has the molecular formula C182H250N22O2S2 and a molecular weight of 2842.29 g/mol. Its IUPAC name is bis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Namebis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole
PubChem CID159004994
Molecular FormulaC182H250N22O2S2
Molecular Weight2842.29 g/mol
Exact Mass2839.96
IUPAC Namebis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)NCN2.CC(C)(C)c1ccc2c(c1)NCO2.CC(C)(C)c1ccc2c(c1)NCS2.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2c1CCN2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnccn1.CC(C)(C)c1nccs1
InChIInChI=1S/C12H15N.C12H17N.C12H15N.C11H14N2.C11H16N2.2C11H14N2.C11H15NO.C11H13NO.C11H15NS.2C10H14.3C9H13N.C8H12N2.C7H12N2.C7H11NS/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;3*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;3*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6/h4-5,7-8H,6H2,1-3H3;4-6,13H,7-8H2,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6,12-13H,7H2,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6,12H,7H2,1-3H3;4-7H,1-3H3;4-6,12H,7H2,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyJRUSRBTUZWIBLE-UHFFFAOYSA-N
XLogP49.38
TPSA315.62 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms208
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002842.29
LogP ≤ 549.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze bis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole?
The IUPAC name of bis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole (CID 159004994) is bis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole.
What is the SMILES notation for bis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole?
The canonical SMILES for bis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole is CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)NCN2.CC(C)(C)c1ccc2c(c1)NCO2.CC(C)(C)c1ccc2c(c1)NCS2.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2c1CCN2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnccn1.CC(C)(C)c1nccs1.
What is the InChIKey of bis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole?
The InChIKey is JRUSRBTUZWIBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C12H17N.C12H15N.C11H14N2.C11H16N2.2C11H14N2.C11H15NO.C11H13NO.C11H15NS.2C10H14.3C9H13N.C8H12N2.C7H12N2.C7H11NS/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;3*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;3*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6/h4-5,7-8H,6H2,1-3H3;4-6,13H,7-8H2,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6,12-13H,7H2,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6,12H,7H2,1-3H3;4-7H,1-3H3;4-6,12H,7H2,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3.
What are the key properties of bis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole?
bis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole has a molecular weight of 2842.29 g/mol, XLogP of 49.38, 0 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole is sourced from PubChem (CID 159004994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).