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

C33H17N3O3 — CID 130191509

IUPAC4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)oc1c(-c3ccc4oc5c(-c6ccnc7c6oc6ccccc67)ccnc5c4c3)ccnc12
InChIInChI=1S/C33H17N3O3/c1-3-7-25-22(5-1)28-31(37-25)19(11-14-34-28)18-9-10-27-24(17-18)30-33(39-27)21(13-16-36-30)20-12-15-35-29-23-6-2-4-8-26(23)38-32(20)29/h1-17H
InChIKeyAYKPZQYAZFLQPZ-UHFFFAOYSA-N
MW503.52 g/mol
LogP8.90
Rot. Bonds2

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

4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 130191509) has the molecular formula C33H17N3O3 and a molecular weight of 503.52 g/mol. Its IUPAC name is 4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
PubChem CID130191509
Molecular FormulaC33H17N3O3
Molecular Weight503.52 g/mol
Exact Mass503.13
IUPAC Name4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)oc1c(-c3ccc4oc5c(-c6ccnc7c6oc6ccccc67)ccnc5c4c3)ccnc12
InChIInChI=1S/C33H17N3O3/c1-3-7-25-22(5-1)28-31(37-25)19(11-14-34-28)18-9-10-27-24(17-18)30-33(39-27)21(13-16-36-30)20-12-15-35-29-23-6-2-4-8-26(23)38-32(20)29/h1-17H
InChIKeyAYKPZQYAZFLQPZ-UHFFFAOYSA-N
XLogP8.90
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.52
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 142281054
4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336353
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-([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-[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-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine
CID 142336489
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
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-(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

Frequently Asked Questions

What is the IUPAC name of 4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine (CID 130191509) is 4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine is c1ccc2c(c1)oc1c(-c3ccc4oc5c(-c6ccnc7c6oc6ccccc67)ccnc5c4c3)ccnc12.
What is the InChIKey of 4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine?
The InChIKey is AYKPZQYAZFLQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H17N3O3/c1-3-7-25-22(5-1)28-31(37-25)19(11-14-34-28)18-9-10-27-24(17-18)30-33(39-27)21(13-16-36-30)20-12-15-35-29-23-6-2-4-8-26(23)38-32(20)29/h1-17H.
What are the key properties of 4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine?
4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine has a molecular weight of 503.52 g/mol, XLogP of 8.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 130191509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).