2-[6-[3-[4-(5-dibenzofuran-3-ylthiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-5-phenylphenol

C51H34N2O2S — CID 170524451

About 2-[6-[3-[4-(5-dibenzofuran-3-ylthiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-5-phenylphenol

2-[6-[3-[4-(5-dibenzofuran-3-ylthiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-5-phenylphenol (PubChem CID 170524451) has the molecular formula C51H34N2O2S and a molecular weight of 738.91 g/mol. Its IUPAC name is 2-[6-[3-[4-(5-dibenzofuran-3-ylthiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-5-phenylphenol.

Molecular Properties

• Compound Name: 2-[6-[3-[4-(5-dibenzofuran-3-ylthiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-5-phenylphenol
• PubChem CID: 170524451
• Molecular Formula: C51H34N2O2S
• Molecular Weight: 738.91 g/mol
• Exact Mass: 738.23
• IUPAC Name: 2-[6-[3-[4-(5-dibenzofuran-3-ylthiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-5-phenylphenol
• SMILES: Cc1cc(-c2ccc(-c3ccc4c(c3)oc3ccccc34)s2)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4O)n3)c2)n1
• InChI: InChI=1S/C51H34N2O2S/c1-32-25-40(51-24-23-50(56-51)38-20-21-42-41-17-8-9-18-48(41)55-49(42)31-38)29-44(52-32)36-15-10-16-37(26-36)45-27-39(34-13-6-3-7-14-34)28-46(53-45)43-22-19-35(30-47(43)54)33-11-4-2-5-12-33/h2-31,54H,1H3
• InChIKey: DRSRBXBJGVEVIX-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.91
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[4-(5-dibenzofuran-3-ylthiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-5-phenylphenol?

The IUPAC name of 2-[6-[3-[4-(5-dibenzofuran-3-ylthiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-5-phenylphenol (CID 170524451) is 2-[6-[3-[4-(5-dibenzofuran-3-ylthiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-5-phenylphenol.

What is the SMILES notation for 2-[6-[3-[4-(5-dibenzofuran-3-ylthiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-5-phenylphenol?

The canonical SMILES for 2-[6-[3-[4-(5-dibenzofuran-3-ylthiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-5-phenylphenol is Cc1cc(-c2ccc(-c3ccc4c(c3)oc3ccccc34)s2)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4O)n3)c2)n1.

What is the InChIKey of 2-[6-[3-[4-(5-dibenzofuran-3-ylthiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-5-phenylphenol?

The InChIKey is DRSRBXBJGVEVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O2S/c1-32-25-40(51-24-23-50(56-51)38-20-21-42-41-17-8-9-18-48(41)55-49(42)31-38)29-44(52-32)36-15-10-16-37(26-36)45-27-39(34-13-6-3-7-14-34)28-46(53-45)43-22-19-35(30-47(43)54)33-11-4-2-5-12-33/h2-31,54H,1H3.

What are the key properties of 2-[6-[3-[4-(5-dibenzofuran-3-ylthiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-5-phenylphenol?

2-[6-[3-[4-(5-dibenzofuran-3-ylthiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-5-phenylphenol has a molecular weight of 738.91 g/mol, XLogP of 14.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[4-(5-dibenzofuran-3-ylthiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-5-phenylphenol is sourced from PubChem (CID 170524451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).