8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine

C39H24INO — CID 170293616

IUPAC8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
SMILESIc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7c6oc6ncccc67)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C39H24INO/c40-34-20-18-26(19-21-34)25-6-8-27(9-7-25)30-14-16-33-24-31(15-17-32(33)23-30)28-10-12-29(13-11-28)35-3-1-4-36-37-5-2-22-41-39(37)42-38(35)36/h1-24H
InChIKeyUEEHDCOFKILILU-UHFFFAOYSA-N
MW649.53 g/mol
LogP11.41
Rot. Bonds4

About 8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine

8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 170293616) has the molecular formula C39H24INO and a molecular weight of 649.53 g/mol. Its IUPAC name is 8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID170293616
Molecular FormulaC39H24INO
Molecular Weight649.53 g/mol
Exact Mass649.09
IUPAC Name8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
SMILESIc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7c6oc6ncccc67)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C39H24INO/c40-34-20-18-26(19-21-34)25-6-8-27(9-7-25)30-14-16-33-24-31(15-17-32(33)23-30)28-10-12-29(13-11-28)35-3-1-4-36-37-5-2-22-41-39(37)42-38(35)36/h1-24H
InChIKeyUEEHDCOFKILILU-UHFFFAOYSA-N
XLogP11.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.53
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane
CID 170293837
4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran
CID 170289926
8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine
CID 90139251
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 168738216
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenanthren-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463423
8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 169293885
4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline
CID 168765748
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine
CID 158808732
N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine
CID 166860611
4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran
CID 174253549
5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 168784897

Frequently Asked Questions

What is the IUPAC name of 8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine (CID 170293616) is 8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine is Ic1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7c6oc6ncccc67)cc5)ccc4c3)cc2)cc1.
What is the InChIKey of 8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is UEEHDCOFKILILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24INO/c40-34-20-18-26(19-21-34)25-6-8-27(9-7-25)30-14-16-33-24-31(15-17-32(33)23-30)28-10-12-29(13-11-28)35-3-1-4-36-37-5-2-22-41-39(37)42-38(35)36/h1-24H.
What are the key properties of 8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine?
8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 649.53 g/mol, XLogP of 11.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 170293616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).