5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine

C23H25FN2 — CID 123938860

IUPAC5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine
SMILES[H]/N=C/C(C)=C(C=CC=C=C)C(=C=CC)C(C=C)=CCC=C(F)C(=C)N=C
InChIInChI=1S/C23H25FN2/c1-7-10-11-15-21(18(4)17-25)22(13-8-2)20(9-3)14-12-16-23(24)19(5)26-6/h8-11,14-17,25H,1,3,5-6,12H2,2,4H3/b15-11?,20-14?,21-18?,23-16?,25-17+
InChIKeyQNIWYUJRUPVPJL-UGZICFSQSA-N
MW348.47 g/mol
LogP6.52
Rot. Bonds10

About 5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine

5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine (PubChem CID 123938860) has the molecular formula C23H25FN2 and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine.

Molecular Properties

Compound Name5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine
PubChem CID123938860
Molecular FormulaC23H25FN2
Molecular Weight348.47 g/mol
Exact Mass348.20
IUPAC Name5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine
SMILES[H]/N=C/C(C)=C(C=CC=C=C)C(=C=CC)C(C=C)=CCC=C(F)C(=C)N=C
InChIInChI=1S/C23H25FN2/c1-7-10-11-15-21(18(4)17-25)22(13-8-2)20(9-3)14-12-16-23(24)19(5)26-6/h8-11,14-17,25H,1,3,5-6,12H2,2,4H3/b15-11?,20-14?,21-18?,23-16?,25-17+
InChIKeyQNIWYUJRUPVPJL-UGZICFSQSA-N
XLogP6.52
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine?
The IUPAC name of 5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine (CID 123938860) is 5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine.
What is the SMILES notation for 5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine?
The canonical SMILES for 5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine is [H]/N=C/C(C)=C(C=CC=C=C)C(=C=CC)C(C=C)=CCC=C(F)C(=C)N=C.
What is the InChIKey of 5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine?
The InChIKey is QNIWYUJRUPVPJL-UGZICFSQSA-N. The full InChI is InChI=1S/C23H25FN2/c1-7-10-11-15-21(18(4)17-25)22(13-8-2)20(9-3)14-12-16-23(24)19(5)26-6/h8-11,14-17,25H,1,3,5-6,12H2,2,4H3/b15-11?,20-14?,21-18?,23-16?,25-17+.
What are the key properties of 5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine?
5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine has a molecular weight of 348.47 g/mol, XLogP of 6.52, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine is sourced from PubChem (CID 123938860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).