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

C190H258N16O3S5 — CID 159022100

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

5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene) (PubChem CID 159022100) has the molecular formula C190H258N16O3S5 and a molecular weight of 2974.60 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene).

Molecular Properties

• Compound Name: 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)
• PubChem CID: 159022100
• Molecular Formula: C190H258N16O3S5
• Molecular Weight: 2974.60 g/mol
• Exact Mass: 2971.91
• IUPAC Name: 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)
• SMILES: CC(C)(C)C1=CCC=N1.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccco1.CC(C)C1=CC=CCC1=O.CC(C)C1=NCC=C1.CC(C)c1cc[nH]c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ccc12.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)c1ccsc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncs1.CC(C)c1nccs1
• InChI: InChI=1S/C12H17N.C12H13N.C12H14.3C11H13N.C11H14O.C9H12O.C9H12.C8H13N.2C8H11N.C8H12O.C7H10N2.2C7H11N.3C7H10S.C6H10N2.2C6H9NS/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9(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)10-4-3-9-5-6-12-11(9)7-10;2*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)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-5-4-6-9-7;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)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h4-5,8,13H,6-7H2,1-3H3;3-9H,1-2H3;3-7,9H,8H2,1-2H3;3*3-8,12H,1-2H3;3-5,8H,6-7H2,1-2H3;3-5,7H,6H2,1-2H3;3-8H,1-2H3;5-6H,4H2,1-3H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-6,8H,1-2H3;3-4,6H,5H2,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
• InChIKey: JTVCOQAAVKCRMK-UHFFFAOYSA-N
• XLogP: 56.67
• TPSA: 258.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2974.60
LogP ≤ 5	56.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene) (CID 159022100) is 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene).

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

The canonical SMILES for 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene) is CC(C)(C)C1=CCC=N1.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccco1.CC(C)C1=CC=CCC1=O.CC(C)C1=NCC=C1.CC(C)c1cc[nH]c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ccc12.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)c1ccsc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncs1.CC(C)c1nccs1.

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

The InChIKey is JTVCOQAAVKCRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C12H13N.C12H14.3C11H13N.C11H14O.C9H12O.C9H12.C8H13N.2C8H11N.C8H12O.C7H10N2.2C7H11N.3C7H10S.C6H10N2.2C6H9NS/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9(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)10-4-3-9-5-6-12-11(9)7-10;2*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)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-5-4-6-9-7;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)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h4-5,8,13H,6-7H2,1-3H3;3-9H,1-2H3;3-7,9H,8H2,1-2H3;3*3-8,12H,1-2H3;3-5,8H,6-7H2,1-2H3;3-5,7H,6H2,1-2H3;3-8H,1-2H3;5-6H,4H2,1-3H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-6,8H,1-2H3;3-4,6H,5H2,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3.

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

5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene) has a molecular weight of 2974.60 g/mol, XLogP of 56.67, 19 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene) is sourced from PubChem (CID 159022100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).