6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine

C199H257FN18O4S2 — CID 157058602

About 6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine

6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine (PubChem CID 157058602) has the molecular formula C199H257FN18O4S2 and a molecular weight of 3048.50 g/mol. Its IUPAC name is 6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine.

Molecular Properties

• Compound Name: 6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine
• PubChem CID: 157058602
• Molecular Formula: C199H257FN18O4S2
• Molecular Weight: 3048.50 g/mol
• Exact Mass: 3045.99
• IUPAC Name: 6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine
• SMILES: CC(C)(C)c1cc(F)nc(C(C)(C)C)c1.CC(C)(C)c1cc[n+]([O-])cc1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cnc2c(c1)C=CC2.CC1=Cc2cc(C(C)(C)C)ccc2C1.Cc1nc2ccc(C(C)(C)C)cc2[nH]1.Cc1nocc1C(C)(C)C.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1nnc2ccc(C(C)(C)C)cc21
• InChI: InChI=1S/C14H18.C13H20FN.C13H17N.C13H15N.C13H16.2C12H16N2.3C12H15N.C12H14O.C11H15N3.C11H13NO.2C11H13NS.C9H13NO.C8H13NO/c1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10;1-12(2,3)9-7-10(13(4,5)6)15-11(14)8-9;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)8-5-6-9-10(7-8)14(4)13-12-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(2,3)8-4-6-10(11)7-5-8;1-6-7(5-10-9-6)8(2,3)4/h5-6,8-9H,7H2,1-4H3;7-8H,1-6H3;5-9H,1-4H3;4-9H,1-3H3;4,6-9H,5H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;4-5,7-8H,6H2,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;5-7H,1-4H3;3*4-7H,1-3H3;4-7H,1-3H3;5H,1-4H3
• InChIKey: ABAYSIOHOMJRGZ-UHFFFAOYSA-N
• XLogP: 54.45
• TPSA: 270.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3048.50
LogP ≤ 5	54.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine?

The IUPAC name of 6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine (CID 157058602) is 6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine.

What is the SMILES notation for 6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine?

The canonical SMILES for 6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine is CC(C)(C)c1cc(F)nc(C(C)(C)C)c1.CC(C)(C)c1cc[n+]([O-])cc1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cnc2c(c1)C=CC2.CC1=Cc2cc(C(C)(C)C)ccc2C1.Cc1nc2ccc(C(C)(C)C)cc2[nH]1.Cc1nocc1C(C)(C)C.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1nnc2ccc(C(C)(C)C)cc21.

What is the InChIKey of 6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine?

The InChIKey is ABAYSIOHOMJRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18.C13H20FN.C13H17N.C13H15N.C13H16.2C12H16N2.3C12H15N.C12H14O.C11H15N3.C11H13NO.2C11H13NS.C9H13NO.C8H13NO/c1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10;1-12(2,3)9-7-10(13(4,5)6)15-11(14)8-9;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)8-5-6-9-10(7-8)14(4)13-12-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(2,3)8-4-6-10(11)7-5-8;1-6-7(5-10-9-6)8(2,3)4/h5-6,8-9H,7H2,1-4H3;7-8H,1-6H3;5-9H,1-4H3;4-9H,1-3H3;4,6-9H,5H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;4-5,7-8H,6H2,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;5-7H,1-4H3;3*4-7H,1-3H3;4-7H,1-3H3;5H,1-4H3.

What are the key properties of 6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine?

6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine has a molecular weight of 3048.50 g/mol, XLogP of 54.45, 0 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine is sourced from PubChem (CID 157058602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).