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

C45H25N3O3 — CID 142336336

IUPAC4-[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
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4cc(-c5ccnc6c5oc5ccccc56)cc(-c5ccnc6c5oc5ccccc56)c4)cc3)ccnc12
InChIInChI=1S/C45H25N3O3/c1-4-10-37-34(7-1)40-43(49-37)31(17-20-46-40)27-15-13-26(14-16-27)28-23-29(32-18-21-47-41-35-8-2-5-11-38(35)50-44(32)41)25-30(24-28)33-19-22-48-42-36-9-3-6-12-39(36)51-45(33)42/h1-25H
InChIKeyRTNWLDBCANLWIZ-UHFFFAOYSA-N
MW655.71 g/mol
LogP12.24
Rot. Bonds4

About 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

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 (PubChem CID 142336336) has the molecular formula C45H25N3O3 and a molecular weight of 655.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID142336336
Molecular FormulaC45H25N3O3
Molecular Weight655.71 g/mol
Exact Mass655.19
IUPAC Name4-[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
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4cc(-c5ccnc6c5oc5ccccc56)cc(-c5ccnc6c5oc5ccccc56)c4)cc3)ccnc12
InChIInChI=1S/C45H25N3O3/c1-4-10-37-34(7-1)40-43(49-37)31(17-20-46-40)27-15-13-26(14-16-27)28-23-29(32-18-21-47-41-35-8-2-5-11-38(35)50-44(32)41)25-30(24-28)33-19-22-48-42-36-9-3-6-12-39(36)51-45(33)42/h1-25H
InChIKeyRTNWLDBCANLWIZ-UHFFFAOYSA-N
XLogP12.24
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.71
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine
CID 142336447
4-phenyl-[1]benzofuro[3,2-b]pyridine
CID 90139239
4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 130191509
4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 142281054
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
4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline
CID 168765389
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-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-[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
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-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 139406317

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)oc1c(-c3ccc(-c4cc(-c5ccnc6c5oc5ccccc56)cc(-c5ccnc6c5oc5ccccc56)c4)cc3)ccnc12.
What is the InChIKey of 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?
The InChIKey is RTNWLDBCANLWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N3O3/c1-4-10-37-34(7-1)40-43(49-37)31(17-20-46-40)27-15-13-26(14-16-27)28-23-29(32-18-21-47-41-35-8-2-5-11-38(35)50-44(32)41)25-30(24-28)33-19-22-48-42-36-9-3-6-12-39(36)51-45(33)42/h1-25H.
What are the key properties of 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?
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 has a molecular weight of 655.71 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142336336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).