2-tert-butylfuran;cumene;methane;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)

C189H268N20O3S4 — CID 157252418

About 2-tert-butylfuran;cumene;methane;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)

2-tert-butylfuran;cumene;methane;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene) (PubChem CID 157252418) has the molecular formula C189H268N20O3S4 and a molecular weight of 2996.63 g/mol. Its IUPAC name is 2-tert-butylfuran;cumene;methane;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene).

Molecular Properties

• Compound Name: 2-tert-butylfuran;cumene;methane;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)
• PubChem CID: 157252418
• Molecular Formula: C189H268N20O3S4
• Molecular Weight: 2996.63 g/mol
• Exact Mass: 2994.03
• IUPAC Name: 2-tert-butylfuran;cumene;methane;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)
• SMILES: C.C.C.C.CC(C)(C)c1ccco1.CC(C)C1=CCC=N1.CC(C)C1=CN=CC1.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2c1OCC2.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccsc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1nccs1
• InChI: InChI=1S/C12H13N.C12H14.C11H15N.2C11H13N.C11H14O.C10H12N2.C9H12.C8H11NO.2C8H11N.C8H12O.C7H10N2.2C7H11N.3C7H10S.3C6H10N2.C6H9NS.4CH4/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-9-8(7)10;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-8(2,3)7-5-4-6-9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;;;;/h3-9H,1-2H3;3-7,9H,8H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;2*3-8,12H,1-2H3;3-5,8H,6-7H2,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;3-6H,1-2H3,(H,9,10);2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;2*4-6H,3H2,1-2H3;3*3-6H,1-2H3;3*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;4*1H4
• InChIKey: AWMKDBPOIRQBAT-UHFFFAOYSA-N
• XLogP: 56.45
• TPSA: 315.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2996.63
LogP ≤ 5	56.45
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuran;cumene;methane;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)?

The IUPAC name of 2-tert-butylfuran;cumene;methane;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene) (CID 157252418) is 2-tert-butylfuran;cumene;methane;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene).

What is the SMILES notation for 2-tert-butylfuran;cumene;methane;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)?

The canonical SMILES for 2-tert-butylfuran;cumene;methane;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene) is C.C.C.C.CC(C)(C)c1ccco1.CC(C)C1=CCC=N1.CC(C)C1=CN=CC1.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2c1OCC2.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccsc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1nccs1.

What is the InChIKey of 2-tert-butylfuran;cumene;methane;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)?

The InChIKey is AWMKDBPOIRQBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C12H14.C11H15N.2C11H13N.C11H14O.C10H12N2.C9H12.C8H11NO.2C8H11N.C8H12O.C7H10N2.2C7H11N.3C7H10S.3C6H10N2.C6H9NS.4CH4/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-9-8(7)10;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-8(2,3)7-5-4-6-9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;;;;/h3-9H,1-2H3;3-7,9H,8H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;2*3-8,12H,1-2H3;3-5,8H,6-7H2,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;3-6H,1-2H3,(H,9,10);2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;2*4-6H,3H2,1-2H3;3*3-6H,1-2H3;3*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;4*1H4.

What are the key properties of 2-tert-butylfuran;cumene;methane;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)?

2-tert-butylfuran;cumene;methane;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene) has a molecular weight of 2996.63 g/mol, XLogP of 56.45, 21 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butylfuran;cumene;methane;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene) is sourced from PubChem (CID 157252418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).