3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine

C22H16N2O3S — CID 139618868

IUPAC3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine
SMILESO=S(c1ccncc1/C=C/c1ccco1)c1ccncc1/C=C/c1ccco1
InChIInChI=1S/C22H16N2O3S/c25-28(21-9-11-23-15-17(21)5-7-19-3-1-13-26-19)22-10-12-24-16-18(22)6-8-20-4-2-14-27-20/h1-16H/b7-5+,8-6+
InChIKeyUVVNUKGGTMQGQN-KQQUZDAGSA-N
MW388.45 g/mol
LogP5.17
Rot. Bonds6

About 3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine

3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine (PubChem CID 139618868) has the molecular formula C22H16N2O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine
PubChem CID139618868
Molecular FormulaC22H16N2O3S
Molecular Weight388.45 g/mol
Exact Mass388.09
IUPAC Name3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine
SMILESO=S(c1ccncc1/C=C/c1ccco1)c1ccncc1/C=C/c1ccco1
InChIInChI=1S/C22H16N2O3S/c25-28(21-9-11-23-15-17(21)5-7-19-3-1-13-26-19)22-10-12-24-16-18(22)6-8-20-4-2-14-27-20/h1-16H/b7-5+,8-6+
InChIKeyUVVNUKGGTMQGQN-KQQUZDAGSA-N
XLogP5.17
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine with MolForge

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Related Compounds

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CID 5282136
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CID 3873
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
4-[2-(4-Fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine
CID 118903766
2-[(R)-furan-2-ylmethylsulfinyl]-N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]acetamide
CID 40466886
1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 68922463
4-[2-(4-Fluorophenyl)-5-(furan-2-ylmethyl)thiophen-3-yl]pyridine
CID 118903778
2-[2-[4-[4-(Furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine
CID 24730942
(NE)-N-(2-furylmethylene)pyridine-3-carboxamide; nickel
CID 499073
cobalt; (NE)-N-(2-furylmethylene)pyridine-3-carboxamide
CID 499074
(2E)-3-(2-furyl)-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
CID 46995818

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine?
The IUPAC name of 3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine (CID 139618868) is 3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine.
What is the SMILES notation for 3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine?
The canonical SMILES for 3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine is O=S(c1ccncc1/C=C/c1ccco1)c1ccncc1/C=C/c1ccco1.
What is the InChIKey of 3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine?
The InChIKey is UVVNUKGGTMQGQN-KQQUZDAGSA-N. The full InChI is InChI=1S/C22H16N2O3S/c25-28(21-9-11-23-15-17(21)5-7-19-3-1-13-26-19)22-10-12-24-16-18(22)6-8-20-4-2-14-27-20/h1-16H/b7-5+,8-6+.
What are the key properties of 3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine?
3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine has a molecular weight of 388.45 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(furan-2-yl)ethenyl]-4-[[3-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine is sourced from PubChem (CID 139618868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).