4-(2,6-diphenyl-2H-pyran-4-yl)-1,2-dihydropyridine

C22H19NO — CID 174924527

IUPAC4-(2,6-diphenyl-2H-pyran-4-yl)-1,2-dihydropyridine
SMILESC1=CC(C2=CC(c3ccccc3)OC(c3ccccc3)=C2)=CCN1
InChIInChI=1S/C22H19NO/c1-3-7-18(8-4-1)21-15-20(17-11-13-23-14-12-17)16-22(24-21)19-9-5-2-6-10-19/h1-13,15-16,21,23H,14H2
InChIKeyRFHBXSMAUFFAFY-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.77
Rot. Bonds3

About 4-(2,6-diphenyl-2H-pyran-4-yl)-1,2-dihydropyridine

4-(2,6-diphenyl-2H-pyran-4-yl)-1,2-dihydropyridine (PubChem CID 174924527) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(2,6-diphenyl-2H-pyran-4-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name4-(2,6-diphenyl-2H-pyran-4-yl)-1,2-dihydropyridine
PubChem CID174924527
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name4-(2,6-diphenyl-2H-pyran-4-yl)-1,2-dihydropyridine
SMILESC1=CC(C2=CC(c3ccccc3)OC(c3ccccc3)=C2)=CCN1
InChIInChI=1S/C22H19NO/c1-3-7-18(8-4-1)21-15-20(17-11-13-23-14-12-17)16-22(24-21)19-9-5-2-6-10-19/h1-13,15-16,21,23H,14H2
InChIKeyRFHBXSMAUFFAFY-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3607724
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N-(cyclohexylmethyl)-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine
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N-[2-(benzhydryloxy)ethyl]-N-ethylamine
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4-phenyl-N-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]butan-1-amine
CID 164616564
N-(cyclohexylmethyl)-2-[(2R,6S)-6-phenyloxan-2-yl]ethanamine
CID 164623361
4-phenyl-N-[2-[(2S,6R)-6-phenyloxan-2-yl]ethyl]butan-1-amine
CID 164628472
4-Benzhydryloxypiperidine
CID 3017584
beta-Methylaminoethyl benzhydryl ether hydrochloride
CID 40790

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diphenyl-2H-pyran-4-yl)-1,2-dihydropyridine?
The IUPAC name of 4-(2,6-diphenyl-2H-pyran-4-yl)-1,2-dihydropyridine (CID 174924527) is 4-(2,6-diphenyl-2H-pyran-4-yl)-1,2-dihydropyridine.
What is the SMILES notation for 4-(2,6-diphenyl-2H-pyran-4-yl)-1,2-dihydropyridine?
The canonical SMILES for 4-(2,6-diphenyl-2H-pyran-4-yl)-1,2-dihydropyridine is C1=CC(C2=CC(c3ccccc3)OC(c3ccccc3)=C2)=CCN1.
What is the InChIKey of 4-(2,6-diphenyl-2H-pyran-4-yl)-1,2-dihydropyridine?
The InChIKey is RFHBXSMAUFFAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-3-7-18(8-4-1)21-15-20(17-11-13-23-14-12-17)16-22(24-21)19-9-5-2-6-10-19/h1-13,15-16,21,23H,14H2.
What are the key properties of 4-(2,6-diphenyl-2H-pyran-4-yl)-1,2-dihydropyridine?
4-(2,6-diphenyl-2H-pyran-4-yl)-1,2-dihydropyridine has a molecular weight of 313.40 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diphenyl-2H-pyran-4-yl)-1,2-dihydropyridine is sourced from PubChem (CID 174924527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).