tris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene

C207H351N20O2S2+ — CID 163731505

IUPACtris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene
SMILESCC(C)C1=CCC(C(C)C)=C1.CC(C)C1=CCC(C(C)C)=C1.CC(C)C1=CCC(C(C)C)=C1.CC(C)C1=CCC(C(C)C)=N1.CC(C)C1=C[N+](C(C)C)=CC1.CC(C)c1c[nH]c(C(C)C)c1.CC(C)c1ccc(C(C)C)[nH]1.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)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.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)c1cnn(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1csc(C(C)C)c1
InChIInChI=1S/3C11H18.C10H17N.C10H18N.6C10H17N.2C10H16O.2C10H16S.6C9H16N2/c3*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)11-6-9;4*1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-11(6-10-9)8(3)4;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/h3*5,7-9H,6H2,1-4H3;5-8,11H,1-4H3;6-9H,5H2,1-4H3;3*5-9H,1-4H3;5,7-8H,6H2,1-4H3;2*5-8,11H,1-4H3;8*5-8H,1-4H3;2*5-7H,1-4H3,(H,10,11)/q;;;;+1;;;;;;;;;;;;;;;;
InChIKeyNWBIJWANECQLED-UHFFFAOYSA-N
MW3216.36 g/mol
LogP66.18
Rot. Bonds42

About tris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene

tris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene (PubChem CID 163731505) has the molecular formula C207H351N20O2S2+ and a molecular weight of 3216.36 g/mol. Its IUPAC name is tris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene.

Molecular Properties

Compound Nametris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene
PubChem CID163731505
Molecular FormulaC207H351N20O2S2+
Molecular Weight3216.36 g/mol
Exact Mass3213.74
IUPAC Nametris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene
SMILESCC(C)C1=CCC(C(C)C)=C1.CC(C)C1=CCC(C(C)C)=C1.CC(C)C1=CCC(C(C)C)=C1.CC(C)C1=CCC(C(C)C)=N1.CC(C)C1=C[N+](C(C)C)=CC1.CC(C)c1c[nH]c(C(C)C)c1.CC(C)c1ccc(C(C)C)[nH]1.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)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.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)c1cnn(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1csc(C(C)C)c1
InChIInChI=1S/3C11H18.C10H17N.C10H18N.6C10H17N.2C10H16O.2C10H16S.6C9H16N2/c3*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)11-6-9;4*1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-11(6-10-9)8(3)4;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/h3*5,7-9H,6H2,1-4H3;5-8,11H,1-4H3;6-9H,5H2,1-4H3;3*5-9H,1-4H3;5,7-8H,6H2,1-4H3;2*5-8,11H,1-4H3;8*5-8H,1-4H3;2*5-7H,1-4H3,(H,10,11)/q;;;;+1;;;;;;;;;;;;;;;;
InChIKeyNWBIJWANECQLED-UHFFFAOYSA-N
XLogP66.18
TPSA232.45 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds42
Heavy Atoms231
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003216.36
LogP ≤ 566.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze tris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;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 tris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene?
The IUPAC name of tris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene (CID 163731505) is tris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene.
What is the SMILES notation for tris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene?
The canonical SMILES for tris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene is CC(C)C1=CCC(C(C)C)=C1.CC(C)C1=CCC(C(C)C)=C1.CC(C)C1=CCC(C(C)C)=C1.CC(C)C1=CCC(C(C)C)=N1.CC(C)C1=C[N+](C(C)C)=CC1.CC(C)c1c[nH]c(C(C)C)c1.CC(C)c1ccc(C(C)C)[nH]1.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)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.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)c1cnn(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1csc(C(C)C)c1.
What is the InChIKey of tris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene?
The InChIKey is NWBIJWANECQLED-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H18.C10H17N.C10H18N.6C10H17N.2C10H16O.2C10H16S.6C9H16N2/c3*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)11-6-9;4*1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-11(6-10-9)8(3)4;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/h3*5,7-9H,6H2,1-4H3;5-8,11H,1-4H3;6-9H,5H2,1-4H3;3*5-9H,1-4H3;5,7-8H,6H2,1-4H3;2*5-8,11H,1-4H3;8*5-8H,1-4H3;2*5-7H,1-4H3,(H,10,11)/q;;;;+1;;;;;;;;;;;;;;;;.
What are the key properties of tris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene?
tris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene has a molecular weight of 3216.36 g/mol, XLogP of 66.18, 42 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,3-di(propan-2-yl)cyclopenta-1,3-diene);2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);bis(1,3-di(propan-2-yl)pyrazole);1,4-di(propan-2-yl)pyrazole;tris(1,3-di(propan-2-yl)pyrrole);2,4-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)-3H-pyrrol-1-ium;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene is sourced from PubChem (CID 163731505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).