4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran

C24H17BrOS — CID 59052965

IUPAC4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran
SMILESBrc1ccc(/C=C/C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)s1
InChIInChI=1S/C24H17BrOS/c25-24-15-14-21(27-24)13-7-8-18-16-22(19-9-3-1-4-10-19)26-23(17-18)20-11-5-2-6-12-20/h1-17H/b13-7+
InChIKeyYGPZWZQZTJSWMA-NTUHNPAUSA-N
MW433.37 g/mol
LogP7.56
Rot. Bonds4

About 4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran

4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran (PubChem CID 59052965) has the molecular formula C24H17BrOS and a molecular weight of 433.37 g/mol. Its IUPAC name is 4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran.

Molecular Properties

Compound Name4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran
PubChem CID59052965
Molecular FormulaC24H17BrOS
Molecular Weight433.37 g/mol
Exact Mass432.02
IUPAC Name4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran
SMILESBrc1ccc(/C=C/C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)s1
InChIInChI=1S/C24H17BrOS/c25-24-15-14-21(27-24)13-7-8-18-16-22(19-9-3-1-4-10-19)26-23(17-18)20-11-5-2-6-12-20/h1-17H/b13-7+
InChIKeyYGPZWZQZTJSWMA-NTUHNPAUSA-N
XLogP7.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.37
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(2,6-diphenylpyran-4-ylidene)penta-1,3-dienyl]-2,6-diphenylpyrylium perchlorate
CID 139796304
(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5407066
2-bromo-5-[(E)-but-1-enyl]thiophene
CID 58787087
2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene
CID 14696263
[2-(2,6-diphenylpyran-4-ylidene)-1-methoxyethylidene]tungsten
CID 11786839
2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene
CID 82094488
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(5-bromothiophen-2-yl)prop-2-enoate
CID 7712560
5-[[5-[(2,6-diphenylpyran-4-ylidene)methyl]-1,3-thiazol-2-yl]methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 102454301
2-(5-bromothiophen-2-yl)-5-phenylfuran
CID 122234638
2-bromo-5-(2-nitroethenyl)thiophene
CID 54399398
(E)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 43236333
2-[4-[2-(2,6-diphenylpyran-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]-3,5-diphenyl-3,4-dihydropyrazol-2-ium
CID 4917768

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran?
The IUPAC name of 4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran (CID 59052965) is 4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran.
What is the SMILES notation for 4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran?
The canonical SMILES for 4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran is Brc1ccc(/C=C/C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)s1.
What is the InChIKey of 4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran?
The InChIKey is YGPZWZQZTJSWMA-NTUHNPAUSA-N. The full InChI is InChI=1S/C24H17BrOS/c25-24-15-14-21(27-24)13-7-8-18-16-22(19-9-3-1-4-10-19)26-23(17-18)20-11-5-2-6-12-20/h1-17H/b13-7+.
What are the key properties of 4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran?
4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran has a molecular weight of 433.37 g/mol, XLogP of 7.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran is sourced from PubChem (CID 59052965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).