cumene;methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

C172H199N9OS2 — CID 159417231

About cumene;methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

cumene;methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 159417231) has the molecular formula C172H199N9OS2 and a molecular weight of 2472.68 g/mol. Its IUPAC name is cumene;methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: cumene;methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
• PubChem CID: 159417231
• Molecular Formula: C172H199N9OS2
• Molecular Weight: 2472.68 g/mol
• Exact Mass: 2470.52
• IUPAC Name: cumene;methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
• SMILES: C.C.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2c1C=CC2.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccnc2ccccc12.CC(C)c1nc2cccnc2s1
• InChI: InChI=1S/2C13H14.6C12H13N.2C12H14.C11H12O.C11H12S.C9H10N2S.C9H12.C8H11N.2CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;;/h2*3-10H,1-2H3;6*3-9H,1-2H3;3-5,7-9H,6H2,1-2H3;3,5-9H,4H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;2*1H4
• InChIKey: LPHRVSDHOARISL-UHFFFAOYSA-N
• XLogP: 51.52
• TPSA: 129.15 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2472.68
LogP ≤ 5	51.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of cumene;methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?

The IUPAC name of cumene;methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (CID 159417231) is cumene;methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.

What is the SMILES notation for cumene;methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?

The canonical SMILES for cumene;methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is C.C.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2c1C=CC2.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccnc2ccccc12.CC(C)c1nc2cccnc2s1.

What is the InChIKey of cumene;methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?

The InChIKey is LPHRVSDHOARISL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H14.6C12H13N.2C12H14.C11H12O.C11H12S.C9H10N2S.C9H12.C8H11N.2CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;;/h2*3-10H,1-2H3;6*3-9H,1-2H3;3-5,7-9H,6H2,1-2H3;3,5-9H,4H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;2*1H4.

What are the key properties of cumene;methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?

cumene;methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 2472.68 g/mol, XLogP of 51.52, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 159417231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).