2,6-dimethyl-5-(5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine

C24H18N2O — CID 90138348

IUPAC2,6-dimethyl-5-(5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1ccc(C)c(-c3ccc(-c4ccccc4)cn3)c12
InChIInChI=1S/C24H18N2O/c1-15-8-13-21-23(19-11-9-16(2)26-24(19)27-21)22(15)20-12-10-18(14-25-20)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyRMFDQEYCRDAATA-UHFFFAOYSA-N
MW350.42 g/mol
LogP6.33
Rot. Bonds2

About 2,6-dimethyl-5-(5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine

2,6-dimethyl-5-(5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 90138348) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 2,6-dimethyl-5-(5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-5-(5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID90138348
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name2,6-dimethyl-5-(5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1ccc(C)c(-c3ccc(-c4ccccc4)cn3)c12
InChIInChI=1S/C24H18N2O/c1-15-8-13-21-23(19-11-9-16(2)26-24(19)27-21)22(15)20-12-10-18(14-25-20)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyRMFDQEYCRDAATA-UHFFFAOYSA-N
XLogP6.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-(5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2,6-dimethyl-5-(5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine (CID 90138348) is 2,6-dimethyl-5-(5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2,6-dimethyl-5-(5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2,6-dimethyl-5-(5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1ccc(C)c(-c3ccc(-c4ccccc4)cn3)c12.
What is the InChIKey of 2,6-dimethyl-5-(5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is RMFDQEYCRDAATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c1-15-8-13-21-23(19-11-9-16(2)26-24(19)27-21)22(15)20-12-10-18(14-25-20)17-6-4-3-5-7-17/h3-14H,1-2H3.
What are the key properties of 2,6-dimethyl-5-(5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
2,6-dimethyl-5-(5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 350.42 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-(5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90138348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).