4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium

C49H38N4O2SV — CID 142336531

IUPAC4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium
SMILESCC.CCC.[V].c1ccc(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccccc67)cc(-c6ccnc7c6sc6ccccc67)c5)ccnc4c3c2)nc1
InChIInChI=1S/C44H24N4O2S.C3H8.C2H6.V/c1-3-10-36-32(7-1)39-42(49-36)29(14-18-46-39)26-21-27(23-28(22-26)31-16-20-48-41-33-8-2-4-11-38(33)51-44(31)41)30-15-19-47-40-34-24-25(35-9-5-6-17-45-35)12-13-37(34)50-43(30)40;1-3-2;1-2;/h1-24H;3H2,1-2H3;1-2H3;
InChIKeyJOVZHBLMXOAJJZ-UHFFFAOYSA-N
MW797.88 g/mol
LogP14.54
Rot. Bonds4

About 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium

4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium (PubChem CID 142336531) has the molecular formula C49H38N4O2SV and a molecular weight of 797.88 g/mol. Its IUPAC name is 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium.

Molecular Properties

Compound Name4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium
PubChem CID142336531
Molecular FormulaC49H38N4O2SV
Molecular Weight797.88 g/mol
Exact Mass797.22
IUPAC Name4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium
SMILESCC.CCC.[V].c1ccc(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccccc67)cc(-c6ccnc7c6sc6ccccc67)c5)ccnc4c3c2)nc1
InChIInChI=1S/C44H24N4O2S.C3H8.C2H6.V/c1-3-10-36-32(7-1)39-42(49-36)29(14-18-46-39)26-21-27(23-28(22-26)31-16-20-48-41-33-8-2-4-11-38(33)51-44(31)41)30-15-19-47-40-34-24-25(35-9-5-6-17-45-35)12-13-37(34)50-43(30)40;1-3-2;1-2;/h1-24H;3H2,1-2H3;1-2H3;
InChIKeyJOVZHBLMXOAJJZ-UHFFFAOYSA-N
XLogP14.54
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.88
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium?
The IUPAC name of 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium (CID 142336531) is 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium.
What is the SMILES notation for 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium?
The canonical SMILES for 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium is CC.CCC.[V].c1ccc(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccccc67)cc(-c6ccnc7c6sc6ccccc67)c5)ccnc4c3c2)nc1.
What is the InChIKey of 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium?
The InChIKey is JOVZHBLMXOAJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O2S.C3H8.C2H6.V/c1-3-10-36-32(7-1)39-42(49-36)29(14-18-46-39)26-21-27(23-28(22-26)31-16-20-48-41-33-8-2-4-11-38(33)51-44(31)41)30-15-19-47-40-34-24-25(35-9-5-6-17-45-35)12-13-37(34)50-43(30)40;1-3-2;1-2;/h1-24H;3H2,1-2H3;1-2H3;.
What are the key properties of 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium?
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium has a molecular weight of 797.88 g/mol, XLogP of 14.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-8-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine;ethane;propane;vanadium is sourced from PubChem (CID 142336531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).