5-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]-2-methoxypyridine

C28H23NO4 — CID 24747885

IUPAC5-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]-2-methoxypyridine
SMILESCOc1ccc(-c2oc3ccc(-c4ccc(OC)nc4)cc3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H23NO4/c1-30-22-10-4-18(5-11-22)27-24-16-20(21-9-15-26(32-3)29-17-21)8-14-25(24)33-28(27)19-6-12-23(31-2)13-7-19/h4-17H,1-3H3
InChIKeyBZIMHDKEMYOVKK-UHFFFAOYSA-N
MW437.50 g/mol
LogP6.85
Rot. Bonds6

About 5-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]-2-methoxypyridine

5-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]-2-methoxypyridine (PubChem CID 24747885) has the molecular formula C28H23NO4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]-2-methoxypyridine
PubChem CID24747885
Molecular FormulaC28H23NO4
Molecular Weight437.50 g/mol
Exact Mass437.16
IUPAC Name5-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]-2-methoxypyridine
SMILESCOc1ccc(-c2oc3ccc(-c4ccc(OC)nc4)cc3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H23NO4/c1-30-22-10-4-18(5-11-22)27-24-16-20(21-9-15-26(32-3)29-17-21)8-14-25(24)33-28(27)19-6-12-23(31-2)13-7-19/h4-17H,1-3H3
InChIKeyBZIMHDKEMYOVKK-UHFFFAOYSA-N
XLogP6.85
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]-2-methoxypyridine?
The IUPAC name of 5-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]-2-methoxypyridine (CID 24747885) is 5-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]-2-methoxypyridine?
The canonical SMILES for 5-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]-2-methoxypyridine is COc1ccc(-c2oc3ccc(-c4ccc(OC)nc4)cc3c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]-2-methoxypyridine?
The InChIKey is BZIMHDKEMYOVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO4/c1-30-22-10-4-18(5-11-22)27-24-16-20(21-9-15-26(32-3)29-17-21)8-14-25(24)33-28(27)19-6-12-23(31-2)13-7-19/h4-17H,1-3H3.
What are the key properties of 5-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]-2-methoxypyridine?
5-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]-2-methoxypyridine has a molecular weight of 437.50 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]-2-methoxypyridine is sourced from PubChem (CID 24747885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).