2,5-diphenyl-3,4-dihydropyridine;ethane;methane

C20H25N — CID 142821130

IUPAC2,5-diphenyl-3,4-dihydropyridine;ethane;methane
SMILESC.C1=C(c2ccccc2)CCC(c2ccccc2)=N1.CC
InChIInChI=1S/C17H15N.C2H6.CH4/c1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-2;/h1-10,13H,11-12H2;1-2H3;1H4
InChIKeyYQOHUCRMZCZSPD-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.97
Rot. Bonds2

About 2,5-diphenyl-3,4-dihydropyridine;ethane;methane

2,5-diphenyl-3,4-dihydropyridine;ethane;methane (PubChem CID 142821130) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2,5-diphenyl-3,4-dihydropyridine;ethane;methane.

Molecular Properties

Compound Name2,5-diphenyl-3,4-dihydropyridine;ethane;methane
PubChem CID142821130
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2,5-diphenyl-3,4-dihydropyridine;ethane;methane
SMILESC.C1=C(c2ccccc2)CCC(c2ccccc2)=N1.CC
InChIInChI=1S/C17H15N.C2H6.CH4/c1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-2;/h1-10,13H,11-12H2;1-2H3;1H4
InChIKeyYQOHUCRMZCZSPD-UHFFFAOYSA-N
XLogP5.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-phenyl-4,5-dihydro-3H-azepin-6-yl)ethanamine
CID 170789927
5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine
CID 170539917
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
benzene;1,1'-biphenyl;ethane
CID 158550617
benzene;ethane;2-phenyl-3H-indole
CID 91573421
5-phenyl-3,4-dihydropyrrol-2-one
CID 122467040
4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine
CID 158371813
ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole
CID 91231324
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
2,2-dimethyl-3-[4-[5-[5-(2-phenylethyl)-1H-imidazol-2-yl]-3,4-dihydropyridin-2-yl]phenoxy]propanoic acid
CID 135265578
benzene;bis(1,1'-biphenyl);methane
CID 158742993

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-3,4-dihydropyridine;ethane;methane?
The IUPAC name of 2,5-diphenyl-3,4-dihydropyridine;ethane;methane (CID 142821130) is 2,5-diphenyl-3,4-dihydropyridine;ethane;methane.
What is the SMILES notation for 2,5-diphenyl-3,4-dihydropyridine;ethane;methane?
The canonical SMILES for 2,5-diphenyl-3,4-dihydropyridine;ethane;methane is C.C1=C(c2ccccc2)CCC(c2ccccc2)=N1.CC.
What is the InChIKey of 2,5-diphenyl-3,4-dihydropyridine;ethane;methane?
The InChIKey is YQOHUCRMZCZSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N.C2H6.CH4/c1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-2;/h1-10,13H,11-12H2;1-2H3;1H4.
What are the key properties of 2,5-diphenyl-3,4-dihydropyridine;ethane;methane?
2,5-diphenyl-3,4-dihydropyridine;ethane;methane has a molecular weight of 279.43 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-3,4-dihydropyridine;ethane;methane is sourced from PubChem (CID 142821130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).