bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol)

C124H154F2N8O6 — CID 159778252

About bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol)

bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol) (PubChem CID 159778252) has the molecular formula C124H154F2N8O6 and a molecular weight of 1890.64 g/mol. Its IUPAC name is bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol).

Molecular Properties

• Compound Name: bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol)
• PubChem CID: 159778252
• Molecular Formula: C124H154F2N8O6
• Molecular Weight: 1890.64 g/mol
• Exact Mass: 1889.20
• IUPAC Name: bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol)
• SMILES: CC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)cc2ccccc12.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C
• InChI: InChI=1S/4C14H16O.4C12H16N2.2C10H13FO/c2*1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;2*1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15;2*1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;2*1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;2*1-10(2,3)9-7(11)5-4-6-8(9)12/h4*4-9,15H,1-3H3;4*5-7H,1-4H3,(H,13,14);2*4-6,12H,1-3H3
• InChIKey: NHAGVAUBUTYREF-UHFFFAOYSA-N
• XLogP: 33.70
• TPSA: 236.10 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1890.64
LogP ≤ 5	33.70
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol)?

The IUPAC name of bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol) (CID 159778252) is bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol).

What is the SMILES notation for bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol)?

The canonical SMILES for bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol) is CC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)cc2ccccc12.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.

What is the InChIKey of bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol)?

The InChIKey is NHAGVAUBUTYREF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H16O.4C12H16N2.2C10H13FO/c2*1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;2*1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15;2*1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;2*1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;2*1-10(2,3)9-7(11)5-4-6-8(9)12/h4*4-9,15H,1-3H3;4*5-7H,1-4H3,(H,13,14);2*4-6,12H,1-3H3.

What are the key properties of bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol)?

bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol) has a molecular weight of 1890.64 g/mol, XLogP of 33.70, 0 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol) is sourced from PubChem (CID 159778252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).