2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine

C31H21NO — CID 156552863

IUPAC2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine
SMILESc1ccc(-c2ccc(-c3oc(-c4ccccc4-c4ccccc4)c4ccccc34)cn2)cc1
InChIInChI=1S/C31H21NO/c1-3-11-22(12-4-1)25-15-7-8-16-26(25)31-28-18-10-9-17-27(28)30(33-31)24-19-20-29(32-21-24)23-13-5-2-6-14-23/h1-21H
InChIKeyUIMZPOXVEOSNKY-UHFFFAOYSA-N
MW423.52 g/mol
LogP8.50
Rot. Bonds4

About 2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine

2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine (PubChem CID 156552863) has the molecular formula C31H21NO and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine.

Molecular Properties

Compound Name2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine
PubChem CID156552863
Molecular FormulaC31H21NO
Molecular Weight423.52 g/mol
Exact Mass423.16
IUPAC Name2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine
SMILESc1ccc(-c2ccc(-c3oc(-c4ccccc4-c4ccccc4)c4ccccc34)cn2)cc1
InChIInChI=1S/C31H21NO/c1-3-11-22(12-4-1)25-15-7-8-16-26(25)31-28-18-10-9-17-27(28)30(33-31)24-19-20-29(32-21-24)23-13-5-2-6-14-23/h1-21H
InChIKeyUIMZPOXVEOSNKY-UHFFFAOYSA-N
XLogP8.50
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine?
The IUPAC name of 2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine (CID 156552863) is 2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine.
What is the SMILES notation for 2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine?
The canonical SMILES for 2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine is c1ccc(-c2ccc(-c3oc(-c4ccccc4-c4ccccc4)c4ccccc34)cn2)cc1.
What is the InChIKey of 2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine?
The InChIKey is UIMZPOXVEOSNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21NO/c1-3-11-22(12-4-1)25-15-7-8-16-26(25)31-28-18-10-9-17-27(28)30(33-31)24-19-20-29(32-21-24)23-13-5-2-6-14-23/h1-21H.
What are the key properties of 2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine?
2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine has a molecular weight of 423.52 g/mol, XLogP of 8.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine is sourced from PubChem (CID 156552863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).