4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol

C73H65N3O — CID 164713154

About 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol

4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol (PubChem CID 164713154) has the molecular formula C73H65N3O and a molecular weight of 1002.36 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol
• PubChem CID: 164713154
• Molecular Formula: C73H65N3O
• Molecular Weight: 1002.36 g/mol
• Exact Mass: 1001.53
• IUPAC Name: 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol
• SMILES: [2H]C([2H])(c1ccc(-n2c(-c3cc(C(C)(C)C)cc(-c4ccccc4)c3O)nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(C(C)(C)c7ccccc7)cc6)ccn5)c4)cccc32)c(-c2ccccc2)c1)C1CCCC1
• InChI: InChI=1S/C73H65N3O/c1-72(2,3)61-47-64(54-27-14-8-15-28-54)70(77)65(48-61)71-75-69-62(31-20-32-68(69)76(71)67-38-33-50(41-49-21-18-19-22-49)42-63(67)53-25-12-7-13-26-53)57-43-56(51-23-10-6-11-24-51)44-58(45-57)66-46-55(39-40-74-66)52-34-36-60(37-35-52)73(4,5)59-29-16-9-17-30-59/h6-17,20,23-40,42-49,77H,18-19,21-22,41H2,1-5H3/i41D2
• InChIKey: RBHSLZFXMVBPGK-CKPBRDMFSA-N
• XLogP: 19.15
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1002.36
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol?

The IUPAC name of 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol (CID 164713154) is 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol.

What is the SMILES notation for 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol?

The canonical SMILES for 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol is [2H]C([2H])(c1ccc(-n2c(-c3cc(C(C)(C)C)cc(-c4ccccc4)c3O)nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(C(C)(C)c7ccccc7)cc6)ccn5)c4)cccc32)c(-c2ccccc2)c1)C1CCCC1.

What is the InChIKey of 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol?

The InChIKey is RBHSLZFXMVBPGK-CKPBRDMFSA-N. The full InChI is InChI=1S/C73H65N3O/c1-72(2,3)61-47-64(54-27-14-8-15-28-54)70(77)65(48-61)71-75-69-62(31-20-32-68(69)76(71)67-38-33-50(41-49-21-18-19-22-49)42-63(67)53-25-12-7-13-26-53)57-43-56(51-23-10-6-11-24-51)44-58(45-57)66-46-55(39-40-74-66)52-34-36-60(37-35-52)73(4,5)59-29-16-9-17-30-59/h6-17,20,23-40,42-49,77H,18-19,21-22,41H2,1-5H3/i41D2.

What are the key properties of 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol?

4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol has a molecular weight of 1002.36 g/mol, XLogP of 19.15, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol is sourced from PubChem (CID 164713154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).