bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);tetrakis(2,5-di(propan-2-yl)-1H-imidazole);1,3-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;bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene

C173H293N19O3S3 — CID 163583867

IUPACbis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);tetrakis(2,5-di(propan-2-yl)-1H-imidazole);1,3-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;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)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)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)c1
InChIInChI=1S/5C10H17N.3C10H16O.3C10H16S.7C9H16N2/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;1-7(2)9-5-6-11(10-9)8(3)4;4*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;9*5-8H,1-4H3;4*5-7H,1-4H3,(H,10,11)
InChIKeyGJVKYLMJRKMVJB-UHFFFAOYSA-N
MW2783.58 g/mol
LogP57.12
Rot. Bonds36

About bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);tetrakis(2,5-di(propan-2-yl)-1H-imidazole);1,3-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;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);tetrakis(2,5-di(propan-2-yl)-1H-imidazole);1,3-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;bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene (PubChem CID 163583867) has the molecular formula C173H293N19O3S3 and a molecular weight of 2783.58 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);tetrakis(2,5-di(propan-2-yl)-1H-imidazole);1,3-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;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);tetrakis(2,5-di(propan-2-yl)-1H-imidazole);1,3-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;bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene
PubChem CID163583867
Molecular FormulaC173H293N19O3S3
Molecular Weight2783.58 g/mol
Exact Mass2781.25
IUPAC Namebis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);tetrakis(2,5-di(propan-2-yl)-1H-imidazole);1,3-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;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)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)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)c1
InChIInChI=1S/5C10H17N.3C10H16O.3C10H16S.7C9H16N2/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;1-7(2)9-5-6-11(10-9)8(3)4;4*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;9*5-8H,1-4H3;4*5-7H,1-4H3,(H,10,11)
InChIKeyGJVKYLMJRKMVJB-UHFFFAOYSA-N
XLogP57.12
TPSA264.83 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002783.58
LogP ≤ 557.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

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

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Related Compounds

3-[5-(Furan-3-yl)thiophen-2-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164610903
(5Z)-5-(furan-2-ylmethylidene)-2-[3-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 122183068
N-[2-(4-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide;1-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazin-1-yl]ethanone
CID 158155864
2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole
CID 161130887
furan;2-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazole;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 67212847
4-[2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-1H-imidazol-5-yl]-2H-triazole
CID 136655709
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine
CID 140977163
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 140977165
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine
CID 140987548
5-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine
CID 140993070
4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine
CID 140998023
4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine
CID 141002534

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);tetrakis(2,5-di(propan-2-yl)-1H-imidazole);1,3-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;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);tetrakis(2,5-di(propan-2-yl)-1H-imidazole);1,3-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;bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene (CID 163583867) is bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);tetrakis(2,5-di(propan-2-yl)-1H-imidazole);1,3-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;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);tetrakis(2,5-di(propan-2-yl)-1H-imidazole);1,3-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;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);tetrakis(2,5-di(propan-2-yl)-1H-imidazole);1,3-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;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)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)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)c1.
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);tetrakis(2,5-di(propan-2-yl)-1H-imidazole);1,3-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;bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene?
The InChIKey is GJVKYLMJRKMVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/5C10H17N.3C10H16O.3C10H16S.7C9H16N2/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;1-7(2)9-5-6-11(10-9)8(3)4;4*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;9*5-8H,1-4H3;4*5-7H,1-4H3,(H,10,11).
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);tetrakis(2,5-di(propan-2-yl)-1H-imidazole);1,3-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;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);tetrakis(2,5-di(propan-2-yl)-1H-imidazole);1,3-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;bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene has a molecular weight of 2783.58 g/mol, XLogP of 57.12, 36 rotatable bonds, 7 hydrogen bond donors, and 18 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);tetrakis(2,5-di(propan-2-yl)-1H-imidazole);1,3-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;bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene is sourced from PubChem (CID 163583867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).