2-[(E)-3-(2,6-diphenylpyran-4-ylidene)prop-1-enyl]pyrazine

C24H18N2O — CID 102144667

IUPAC2-[(E)-3-(2,6-diphenylpyran-4-ylidene)prop-1-enyl]pyrazine
SMILESC(/C=C/c1cnccn1)=C1C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C24H18N2O/c1-3-9-20(10-4-1)23-16-19(8-7-13-22-18-25-14-15-26-22)17-24(27-23)21-11-5-2-6-12-21/h1-18H/b13-7+
InChIKeySBZSQUHYPQKTJV-NTUHNPAUSA-N
MW350.42 g/mol
LogP5.53
Rot. Bonds4

About 2-[(E)-3-(2,6-diphenylpyran-4-ylidene)prop-1-enyl]pyrazine

2-[(E)-3-(2,6-diphenylpyran-4-ylidene)prop-1-enyl]pyrazine (PubChem CID 102144667) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[(E)-3-(2,6-diphenylpyran-4-ylidene)prop-1-enyl]pyrazine.

Molecular Properties

Compound Name2-[(E)-3-(2,6-diphenylpyran-4-ylidene)prop-1-enyl]pyrazine
PubChem CID102144667
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name2-[(E)-3-(2,6-diphenylpyran-4-ylidene)prop-1-enyl]pyrazine
SMILESC(/C=C/c1cnccn1)=C1C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C24H18N2O/c1-3-9-20(10-4-1)23-16-19(8-7-13-22-18-25-14-15-26-22)17-24(27-23)21-11-5-2-6-12-21/h1-18H/b13-7+
InChIKeySBZSQUHYPQKTJV-NTUHNPAUSA-N
XLogP5.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Bis[2-(4-methoxyphenyl)ethenyl]pyrazine
CID 15504852
2-benzhydryloxy-3-[(E)-2-phenylethenyl]pyrazine
CID 172436916
2,2-Difluoro-9-methyl-4-phenyl-3-oxa-8-aza-1-azonia-2-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene
CID 89707175
2-[(E)-2-(2-methoxyphenyl)ethenyl]pyrazine
CID 5929728
3,5-Dimethyl-2-(3-phenylmethoxybenzene-6-id-1-yl)pyrazine;iridium;1,1,1-trifluoropentane-2,4-diol
CID 59408499
2-[[4-[(2-Fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine
CID 141073803
2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine
CID 141203515
2-Chloro-5-(2-fluoro-6-methyl-4-phenylmethoxycyclohexa-1,3-dien-1-yl)pyrazine
CID 153555949
N-[(1Z,3E)-4-(5-chloropyrazin-2-yl)-2-fluoro-1-phenylmethoxypenta-1,3-dienyl]methanimine
CID 167162381
2-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine
CID 15208513
(z)-2-(3h-Isobenzofuran-1ylidenemethyl)-pyrazine
CID 12063893
2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine
CID 134997323

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(2,6-diphenylpyran-4-ylidene)prop-1-enyl]pyrazine?
The IUPAC name of 2-[(E)-3-(2,6-diphenylpyran-4-ylidene)prop-1-enyl]pyrazine (CID 102144667) is 2-[(E)-3-(2,6-diphenylpyran-4-ylidene)prop-1-enyl]pyrazine.
What is the SMILES notation for 2-[(E)-3-(2,6-diphenylpyran-4-ylidene)prop-1-enyl]pyrazine?
The canonical SMILES for 2-[(E)-3-(2,6-diphenylpyran-4-ylidene)prop-1-enyl]pyrazine is C(/C=C/c1cnccn1)=C1C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of 2-[(E)-3-(2,6-diphenylpyran-4-ylidene)prop-1-enyl]pyrazine?
The InChIKey is SBZSQUHYPQKTJV-NTUHNPAUSA-N. The full InChI is InChI=1S/C24H18N2O/c1-3-9-20(10-4-1)23-16-19(8-7-13-22-18-25-14-15-26-22)17-24(27-23)21-11-5-2-6-12-21/h1-18H/b13-7+.
What are the key properties of 2-[(E)-3-(2,6-diphenylpyran-4-ylidene)prop-1-enyl]pyrazine?
2-[(E)-3-(2,6-diphenylpyran-4-ylidene)prop-1-enyl]pyrazine has a molecular weight of 350.42 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(2,6-diphenylpyran-4-ylidene)prop-1-enyl]pyrazine is sourced from PubChem (CID 102144667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).