2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-fluorothieno[2,3-c]pyridin-7-yl]phenyl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol

C62H64FN3OS — CID 177073371

About 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-fluorothieno[2,3-c]pyridin-7-yl]phenyl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-fluorothieno[2,3-c]pyridin-7-yl]phenyl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol (PubChem CID 177073371) has the molecular formula C62H64FN3OS and a molecular weight of 918.28 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-fluorothieno[2,3-c]pyridin-7-yl]phenyl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-fluorothieno[2,3-c]pyridin-7-yl]phenyl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol
• PubChem CID: 177073371
• Molecular Formula: C62H64FN3OS
• Molecular Weight: 918.28 g/mol
• Exact Mass: 917.48
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-fluorothieno[2,3-c]pyridin-7-yl]phenyl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol
• SMILES: Cc1cc(C)c(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4cc(-c5ncc(F)c6cc(-c7ccc(C(C)(C)C)cc7)sc56)cc(C(C)(C)C)c4)cccc32)c(-c2ccccc2)c1
• InChI: InChI=1S/C62H64FN3OS/c1-36-27-37(2)55(46(28-36)38-19-16-15-17-20-38)66-51-22-18-21-45(54(51)65-58(66)48-32-44(61(9,10)11)33-49(56(48)67)62(12,13)14)40-29-41(31-43(30-40)60(6,7)8)53-57-47(50(63)35-64-53)34-52(68-57)39-23-25-42(26-24-39)59(3,4)5/h15-35,67H,1-14H3
• InChIKey: VWRGILLGUQZPKY-UHFFFAOYSA-N
• XLogP: 17.62
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.28
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-fluorothieno[2,3-c]pyridin-7-yl]phenyl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-fluorothieno[2,3-c]pyridin-7-yl]phenyl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol (CID 177073371) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-fluorothieno[2,3-c]pyridin-7-yl]phenyl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-fluorothieno[2,3-c]pyridin-7-yl]phenyl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol?

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-fluorothieno[2,3-c]pyridin-7-yl]phenyl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol is Cc1cc(C)c(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4cc(-c5ncc(F)c6cc(-c7ccc(C(C)(C)C)cc7)sc56)cc(C(C)(C)C)c4)cccc32)c(-c2ccccc2)c1.

What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-fluorothieno[2,3-c]pyridin-7-yl]phenyl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol?

The InChIKey is VWRGILLGUQZPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H64FN3OS/c1-36-27-37(2)55(46(28-36)38-19-16-15-17-20-38)66-51-22-18-21-45(54(51)65-58(66)48-32-44(61(9,10)11)33-49(56(48)67)62(12,13)14)40-29-41(31-43(30-40)60(6,7)8)53-57-47(50(63)35-64-53)34-52(68-57)39-23-25-42(26-24-39)59(3,4)5/h15-35,67H,1-14H3.

What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-fluorothieno[2,3-c]pyridin-7-yl]phenyl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol?

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-fluorothieno[2,3-c]pyridin-7-yl]phenyl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol has a molecular weight of 918.28 g/mol, XLogP of 17.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-fluorothieno[2,3-c]pyridin-7-yl]phenyl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 177073371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).