7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine

C28H23NO5 — CID 66779376

IUPAC7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine
SMILESC1=CCCC(CC2=COC=C(c3cc4nccc(C5=COC=C(C6=CC=CCC6)O5)c4o3)O2)=C1
InChIInChI=1S/C28H23NO5/c1-3-7-19(8-4-1)13-21-15-30-18-27(32-21)24-14-23-28(34-24)22(11-12-29-23)26-17-31-16-25(33-26)20-9-5-2-6-10-20/h1-3,5,7,9,11-12,14-18H,4,6,8,10,13H2
InChIKeyJUSGZGHBAAZHEF-UHFFFAOYSA-N
MW453.49 g/mol
LogP7.14
Rot. Bonds5

About 7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine

7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine (PubChem CID 66779376) has the molecular formula C28H23NO5 and a molecular weight of 453.49 g/mol. Its IUPAC name is 7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine
PubChem CID66779376
Molecular FormulaC28H23NO5
Molecular Weight453.49 g/mol
Exact Mass453.16
IUPAC Name7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine
SMILESC1=CCCC(CC2=COC=C(c3cc4nccc(C5=COC=C(C6=CC=CCC6)O5)c4o3)O2)=C1
InChIInChI=1S/C28H23NO5/c1-3-7-19(8-4-1)13-21-15-30-18-27(32-21)24-14-23-28(34-24)22(11-12-29-23)26-17-31-16-25(33-26)20-9-5-2-6-10-20/h1-3,5,7,9,11-12,14-18H,4,6,8,10,13H2
InChIKeyJUSGZGHBAAZHEF-UHFFFAOYSA-N
XLogP7.14
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.49
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine?
The IUPAC name of 7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine (CID 66779376) is 7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine.
What is the SMILES notation for 7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine?
The canonical SMILES for 7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine is C1=CCCC(CC2=COC=C(c3cc4nccc(C5=COC=C(C6=CC=CCC6)O5)c4o3)O2)=C1.
What is the InChIKey of 7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine?
The InChIKey is JUSGZGHBAAZHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO5/c1-3-7-19(8-4-1)13-21-15-30-18-27(32-21)24-14-23-28(34-24)22(11-12-29-23)26-17-31-16-25(33-26)20-9-5-2-6-10-20/h1-3,5,7,9,11-12,14-18H,4,6,8,10,13H2.
What are the key properties of 7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine?
7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine has a molecular weight of 453.49 g/mol, XLogP of 7.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine is sourced from PubChem (CID 66779376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).