cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene)

C164H238N20O4S5 — CID 158260533

IUPACcumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene)
SMILESCC(C)C1=CCC=N1.CC(C)C1=NCC=C1.CC(C)c1ccc[nH]1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1nccs1
InChIInChI=1S/2C9H12.5C8H11N.2C7H10N2.4C7H11N.2C7H10O.2C7H10S.C6H10N2.2C6H9NO.3C6H9NS/c2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-4-3-5-9-6-8;3*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;8*1-6(2)7-4-3-5-8-7;6*1-5(2)6-7-3-4-8-6/h2*3-8H,1-2H3;5*3-7H,1-2H3;2*3-6H,1-2H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;2*3-6,8H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3
InChIKeyGHUWZAPNKHQHBY-UHFFFAOYSA-N
MW2714.18 g/mol
LogP50.25
Rot. Bonds23

About cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene)

cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene) (PubChem CID 158260533) has the molecular formula C164H238N20O4S5 and a molecular weight of 2714.18 g/mol. Its IUPAC name is cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene).

Molecular Properties

Compound Namecumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene)
PubChem CID158260533
Molecular FormulaC164H238N20O4S5
Molecular Weight2714.18 g/mol
Exact Mass2711.76
IUPAC Namecumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene)
SMILESCC(C)C1=CCC=N1.CC(C)C1=NCC=C1.CC(C)c1ccc[nH]1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1nccs1
InChIInChI=1S/2C9H12.5C8H11N.2C7H10N2.4C7H11N.2C7H10O.2C7H10S.C6H10N2.2C6H9NO.3C6H9NS/c2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-4-3-5-9-6-8;3*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;8*1-6(2)7-4-3-5-8-7;6*1-5(2)6-7-3-4-8-6/h2*3-8H,1-2H3;5*3-7H,1-2H3;2*3-6H,1-2H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;2*3-6,8H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3
InChIKeyGHUWZAPNKHQHBY-UHFFFAOYSA-N
XLogP50.25
TPSA318.00 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms193
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002714.18
LogP ≤ 550.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene)?
The IUPAC name of cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene) (CID 158260533) is cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene).
What is the SMILES notation for cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene)?
The canonical SMILES for cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene) is CC(C)C1=CCC=N1.CC(C)C1=NCC=C1.CC(C)c1ccc[nH]1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1nccs1.
What is the InChIKey of cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene)?
The InChIKey is GHUWZAPNKHQHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12.5C8H11N.2C7H10N2.4C7H11N.2C7H10O.2C7H10S.C6H10N2.2C6H9NO.3C6H9NS/c2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-4-3-5-9-6-8;3*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;8*1-6(2)7-4-3-5-8-7;6*1-5(2)6-7-3-4-8-6/h2*3-8H,1-2H3;5*3-7H,1-2H3;2*3-6H,1-2H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;2*3-6,8H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3.
What are the key properties of cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene)?
cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene) has a molecular weight of 2714.18 g/mol, XLogP of 50.25, 23 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene) is sourced from PubChem (CID 158260533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).