bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene

C245H414N28O7S6 — CID 158976874

IUPACbis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene
SMILESCC(C)c1c[nH]c(C(C)C)c1.CC(C)c1c[nH]c(C(C)C)c1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)n1
InChIInChI=1S/5C10H17N.3C10H16O.3C10H16S.8C9H16N2.4C9H15NO.3C9H15NS/c2*1-7(2)9-5-10(8(3)4)11-6-9;2*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-6-10(11-9)8(3)4;2*1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;2*1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;2*1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;2*1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h2*5-8,11H,1-4H3;2*5-9H,1-4H3;5-8,11H,1-4H3;12*5-8H,1-4H3;2*5-7H,1-4H3,(H,10,11);7*5-7H,1-4H3
InChIKeyJOMRMJIJYGEGQU-UHFFFAOYSA-N
MW4056.60 g/mol
LogP81.43
Rot. Bonds52

About bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene

bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene (PubChem CID 158976874) has the molecular formula C245H414N28O7S6 and a molecular weight of 4056.60 g/mol. Its IUPAC name is bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene.

Molecular Properties

Compound Namebis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene
PubChem CID158976874
Molecular FormulaC245H414N28O7S6
Molecular Weight4056.60 g/mol
Exact Mass4053.12
IUPAC Namebis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene
SMILESCC(C)c1c[nH]c(C(C)C)c1.CC(C)c1c[nH]c(C(C)C)c1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)n1
InChIInChI=1S/5C10H17N.3C10H16O.3C10H16S.8C9H16N2.4C9H15NO.3C9H15NS/c2*1-7(2)9-5-10(8(3)4)11-6-9;2*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-6-10(11-9)8(3)4;2*1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;2*1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;2*1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;2*1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h2*5-8,11H,1-4H3;2*5-9H,1-4H3;5-8,11H,1-4H3;12*5-8H,1-4H3;2*5-7H,1-4H3,(H,10,11);7*5-7H,1-4H3
InChIKeyJOMRMJIJYGEGQU-UHFFFAOYSA-N
XLogP81.43
TPSA403.72 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds52
Heavy Atoms286
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004056.60
LogP ≤ 581.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Analyze bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene?
The IUPAC name of bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene (CID 158976874) is bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene.
What is the SMILES notation for bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene?
The canonical SMILES for bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene is CC(C)c1c[nH]c(C(C)C)c1.CC(C)c1c[nH]c(C(C)C)c1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)n1.
What is the InChIKey of bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene?
The InChIKey is JOMRMJIJYGEGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/5C10H17N.3C10H16O.3C10H16S.8C9H16N2.4C9H15NO.3C9H15NS/c2*1-7(2)9-5-10(8(3)4)11-6-9;2*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-6-10(11-9)8(3)4;2*1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;2*1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;2*1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;2*1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h2*5-8,11H,1-4H3;2*5-9H,1-4H3;5-8,11H,1-4H3;12*5-8H,1-4H3;2*5-7H,1-4H3,(H,10,11);7*5-7H,1-4H3.
What are the key properties of bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene?
bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene has a molecular weight of 4056.60 g/mol, XLogP of 81.43, 52 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene is sourced from PubChem (CID 158976874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).