4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine

C23H14INO — CID 122693102

IUPAC4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine
SMILESIc1ccnc2c1oc1c(-c3ccccc3)cc(-c3ccccc3)cc12
InChIInChI=1S/C23H14INO/c24-20-11-12-25-21-19-14-17(15-7-3-1-4-8-15)13-18(22(19)26-23(20)21)16-9-5-2-6-10-16/h1-14H
InChIKeyCQFNWIBRWPAWAX-UHFFFAOYSA-N
MW447.28 g/mol
LogP6.92
Rot. Bonds2

About 4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine

4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine (PubChem CID 122693102) has the molecular formula C23H14INO and a molecular weight of 447.28 g/mol. Its IUPAC name is 4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine
PubChem CID122693102
Molecular FormulaC23H14INO
Molecular Weight447.28 g/mol
Exact Mass447.01
IUPAC Name4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine
SMILESIc1ccnc2c1oc1c(-c3ccccc3)cc(-c3ccccc3)cc12
InChIInChI=1S/C23H14INO/c24-20-11-12-25-21-19-14-17(15-7-3-1-4-8-15)13-18(22(19)26-23(20)21)16-9-5-2-6-10-16/h1-14H
InChIKeyCQFNWIBRWPAWAX-UHFFFAOYSA-N
XLogP6.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.28
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine (CID 122693102) is 4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine is Ic1ccnc2c1oc1c(-c3ccccc3)cc(-c3ccccc3)cc12.
What is the InChIKey of 4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is CQFNWIBRWPAWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14INO/c24-20-11-12-25-21-19-14-17(15-7-3-1-4-8-15)13-18(22(19)26-23(20)21)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine?
4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 447.28 g/mol, XLogP of 6.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-6,8-diphenyl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 122693102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).