4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine

C56H32N4O3 — CID 142336373

IUPAC4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8ccccc8)cc67)nc(-c6ccnc7c6oc6ccc(-c8ccccc8)cc67)c5)ccnc4c3c2)cc1
InChIInChI=1S/C56H32N4O3/c1-4-10-33(11-5-1)36-16-19-48-43(28-36)51-54(61-48)40(22-25-57-51)39-31-46(41-23-26-58-52-44-29-37(34-12-6-2-7-13-34)17-20-49(44)62-55(41)52)60-47(32-39)42-24-27-59-53-45-30-38(35-14-8-3-9-15-35)18-21-50(45)63-56(42)53/h1-32H
InChIKeyLNYHQWLQYXRJKL-UHFFFAOYSA-N
MW808.90 g/mol
LogP14.97
Rot. Bonds6

About 4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine

4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336373) has the molecular formula C56H32N4O3 and a molecular weight of 808.90 g/mol. Its IUPAC name is 4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine
PubChem CID142336373
Molecular FormulaC56H32N4O3
Molecular Weight808.90 g/mol
Exact Mass808.25
IUPAC Name4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8ccccc8)cc67)nc(-c6ccnc7c6oc6ccc(-c8ccccc8)cc67)c5)ccnc4c3c2)cc1
InChIInChI=1S/C56H32N4O3/c1-4-10-33(11-5-1)36-16-19-48-43(28-36)51-54(61-48)40(22-25-57-51)39-31-46(41-23-26-58-52-44-29-37(34-12-6-2-7-13-34)17-20-49(44)62-55(41)52)60-47(32-39)42-24-27-59-53-45-30-38(35-14-8-3-9-15-35)18-21-50(45)63-56(42)53/h1-32H
InChIKeyLNYHQWLQYXRJKL-UHFFFAOYSA-N
XLogP14.97
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.90
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 142336454
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-[4-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 152909253
4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 130191509
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-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336353
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
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-phenyl-[1]benzofuro[3,2-b]pyridine
CID 90139239
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-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336371
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

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 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) is 4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8ccccc8)cc67)nc(-c6ccnc7c6oc6ccc(-c8ccccc8)cc67)c5)ccnc4c3c2)cc1.
What is the InChIKey of 4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is LNYHQWLQYXRJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N4O3/c1-4-10-33(11-5-1)36-16-19-48-43(28-36)51-54(61-48)40(22-25-57-51)39-31-46(41-23-26-58-52-44-29-37(34-12-6-2-7-13-34)17-20-49(44)62-55(41)52)60-47(32-39)42-24-27-59-53-45-30-38(35-14-8-3-9-15-35)18-21-50(45)63-56(42)53/h1-32H.
What are the key properties of 4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine?
4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 808.90 g/mol, XLogP of 14.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).