(4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene

C23H19O2+ — CID 137292692

IUPAC(4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene
SMILESCc1cc(/C=C2/C=C(c3ccccc3)Oc3ccccc32)cc(C)[o+]1
InChIInChI=1S/C23H19O2/c1-16-12-18(13-17(2)24-16)14-20-15-23(19-8-4-3-5-9-19)25-22-11-7-6-10-21(20)22/h3-15H,1-2H3/q+1
InChIKeyKDXWOEFZYRZQEK-UHFFFAOYSA-N
MW327.40 g/mol
LogP6.15
Rot. Bonds2

About (4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene

(4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene (PubChem CID 137292692) has the molecular formula C23H19O2+ and a molecular weight of 327.40 g/mol. Its IUPAC name is (4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene.

Molecular Properties

Compound Name(4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene
PubChem CID137292692
Molecular FormulaC23H19O2+
Molecular Weight327.40 g/mol
Exact Mass327.14
IUPAC Name(4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene
SMILESCc1cc(/C=C2/C=C(c3ccccc3)Oc3ccccc32)cc(C)[o+]1
InChIInChI=1S/C23H19O2/c1-16-12-18(13-17(2)24-16)14-20-15-23(19-8-4-3-5-9-19)25-22-11-7-6-10-21(20)22/h3-15H,1-2H3/q+1
InChIKeyKDXWOEFZYRZQEK-UHFFFAOYSA-N
XLogP6.15
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.40
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene
CID 57182122
(2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone
CID 134868144
(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
CID 5394659
(3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one
CID 762462
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-(4-phenylphenyl)furan-2-one
CID 10861529
(1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene
CID 138968051
(3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 15483513
6-methyl-3-phenyl-2-(2-phenylethenyl)-4-[[2-(2-phenylethenyl)chromen-4-ylidene]methyl]chromenylium perchlorate
CID 88838835
3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 3120319
(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 785278
3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one
CID 2936939

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene?
The IUPAC name of (4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene (CID 137292692) is (4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene.
What is the SMILES notation for (4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene?
The canonical SMILES for (4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene is Cc1cc(/C=C2/C=C(c3ccccc3)Oc3ccccc32)cc(C)[o+]1.
What is the InChIKey of (4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene?
The InChIKey is KDXWOEFZYRZQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19O2/c1-16-12-18(13-17(2)24-16)14-20-15-23(19-8-4-3-5-9-19)25-22-11-7-6-10-21(20)22/h3-15H,1-2H3/q+1.
What are the key properties of (4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene?
(4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene has a molecular weight of 327.40 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene is sourced from PubChem (CID 137292692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).