2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol

C57H48N2O3 — CID 170524330

About 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol

2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol (PubChem CID 170524330) has the molecular formula C57H48N2O3 and a molecular weight of 809.02 g/mol. Its IUPAC name is 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol.

Molecular Properties

• Compound Name: 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
• PubChem CID: 170524330
• Molecular Formula: C57H48N2O3
• Molecular Weight: 809.02 g/mol
• Exact Mass: 808.37
• IUPAC Name: 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
• SMILES: Cc1cc(-c2oc3ccccc3c2-c2ccc3c(c2)oc2ccccc23)cc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4O)n3)c2)n1
• InChI: InChI=1S/C57H48N2O3/c1-34-25-40(55-54(46-19-10-13-22-52(46)62-55)37-23-24-44-43-17-9-12-21-51(43)61-53(44)32-37)31-47(58-34)35-15-14-16-36(26-35)48-29-39(30-49(59-48)45-18-8-11-20-50(45)60)38-27-41(56(2,3)4)33-42(28-38)57(5,6)7/h8-33,60H,1-7H3
• InChIKey: LUAJPZJAQVBYGO-UHFFFAOYSA-N
• XLogP: 15.73
• TPSA: 72.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.02
LogP ≤ 5	15.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?

The IUPAC name of 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol (CID 170524330) is 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol.

What is the SMILES notation for 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?

The canonical SMILES for 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol is Cc1cc(-c2oc3ccccc3c2-c2ccc3c(c2)oc2ccccc23)cc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4O)n3)c2)n1.

What is the InChIKey of 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?

The InChIKey is LUAJPZJAQVBYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N2O3/c1-34-25-40(55-54(46-19-10-13-22-52(46)62-55)37-23-24-44-43-17-9-12-21-51(43)61-53(44)32-37)31-47(58-34)35-15-14-16-36(26-35)48-29-39(30-49(59-48)45-18-8-11-20-50(45)60)38-27-41(56(2,3)4)33-42(28-38)57(5,6)7/h8-33,60H,1-7H3.

What are the key properties of 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?

2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol has a molecular weight of 809.02 g/mol, XLogP of 15.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 170524330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).