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

C44H26N4O2 — CID 152909253

IUPAC4-pyridin-4-yl-8-[4-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2ccnc3c2oc2ccc(-c4ccc(-c5ccc(-c6ccc7oc8c(-c9ccncc9)ccnc8c7c6)cc5)cc4)cc23)ccn1
InChIInChI=1S/C44H26N4O2/c1-5-29(33-9-11-39-37(25-33)41-43(49-39)35(17-23-47-41)31-13-19-45-20-14-31)6-2-27(1)28-3-7-30(8-4-28)34-10-12-40-38(26-34)42-44(50-40)36(18-24-48-42)32-15-21-46-22-16-32/h1-26H
InChIKeyUGWGMJDGEUFIDE-UHFFFAOYSA-N
MW642.72 g/mol
LogP11.40
Rot. Bonds5

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

4-pyridin-4-yl-8-[4-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 152909253) has the molecular formula C44H26N4O2 and a molecular weight of 642.72 g/mol. Its IUPAC name is 4-pyridin-4-yl-8-[4-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-pyridin-4-yl-8-[4-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID152909253
Molecular FormulaC44H26N4O2
Molecular Weight642.72 g/mol
Exact Mass642.21
IUPAC Name4-pyridin-4-yl-8-[4-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2ccnc3c2oc2ccc(-c4ccc(-c5ccc(-c6ccc7oc8c(-c9ccncc9)ccnc8c7c6)cc5)cc4)cc23)ccn1
InChIInChI=1S/C44H26N4O2/c1-5-29(33-9-11-39-37(25-33)41-43(49-39)35(17-23-47-41)31-13-19-45-20-14-31)6-2-27(1)28-3-7-30(8-4-28)34-10-12-40-38(26-34)42-44(50-40)36(18-24-48-42)32-15-21-46-22-16-32/h1-26H
InChIKeyUGWGMJDGEUFIDE-UHFFFAOYSA-N
XLogP11.40
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.72
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-pyridin-4-yl-8-[4-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

4-pyridin-4-yl-8-[3-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336465
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine
CID 142336447
4-pyridin-4-yl-8-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)-[1]benzofuro[3,2-b]pyridine;4-pyridin-4-yl-8-[3-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-pyrimidin-2-yl-8-(4-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl)-[1]benzofuro[3,2-b]pyridine
CID 159460465
4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 130191509
4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine
CID 142336373
4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336353
8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336319
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336336
4-phenyl-[1]benzofuro[3,2-b]pyridine
CID 90139239
4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine
CID 163923291
8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 153311745
4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline
CID 90050316

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-8-[4-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-pyridin-4-yl-8-[4-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 152909253) is 4-pyridin-4-yl-8-[4-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-pyridin-4-yl-8-[4-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-pyridin-4-yl-8-[4-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1cc(-c2ccnc3c2oc2ccc(-c4ccc(-c5ccc(-c6ccc7oc8c(-c9ccncc9)ccnc8c7c6)cc5)cc4)cc23)ccn1.
What is the InChIKey of 4-pyridin-4-yl-8-[4-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is UGWGMJDGEUFIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O2/c1-5-29(33-9-11-39-37(25-33)41-43(49-39)35(17-23-47-41)31-13-19-45-20-14-31)6-2-27(1)28-3-7-30(8-4-28)34-10-12-40-38(26-34)42-44(50-40)36(18-24-48-42)32-15-21-46-22-16-32/h1-26H.
What are the key properties of 4-pyridin-4-yl-8-[4-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
4-pyridin-4-yl-8-[4-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 642.72 g/mol, XLogP of 11.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-8-[4-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 152909253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).