potassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide

C27H32KN — CID 155723292

IUPACpotassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide
SMILESCC/C(=C(\c1ccccc1)c1ccc(C)cc1)c1ccccc1.CCC[N-]C.[K+]
InChIInChI=1S/C23H22.C4H10N.K/c1-3-22(19-10-6-4-7-11-19)23(20-12-8-5-9-13-20)21-16-14-18(2)15-17-21;1-3-4-5-2;/h4-17H,3H2,1-2H3;3-4H2,1-2H3;/q;-1;+1/b23-22-;;
InChIKeyJCUAUVPLGQIZDL-PPNCFKIXSA-N
MW409.66 g/mol
LogP4.77
Rot. Bonds6

About potassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide

potassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide (PubChem CID 155723292) has the molecular formula C27H32KN and a molecular weight of 409.66 g/mol. Its IUPAC name is potassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide.

Molecular Properties

Compound Namepotassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide
PubChem CID155723292
Molecular FormulaC27H32KN
Molecular Weight409.66 g/mol
Exact Mass409.22
IUPAC Namepotassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide
SMILESCC/C(=C(\c1ccccc1)c1ccc(C)cc1)c1ccccc1.CCC[N-]C.[K+]
InChIInChI=1S/C23H22.C4H10N.K/c1-3-22(19-10-6-4-7-11-19)23(20-12-8-5-9-13-20)21-16-14-18(2)15-17-21;1-3-4-5-2;/h4-17H,3H2,1-2H3;3-4H2,1-2H3;/q;-1;+1/b23-22-;;
InChIKeyJCUAUVPLGQIZDL-PPNCFKIXSA-N
XLogP4.77
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.66
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
CID 143267176
4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenol
CID 10567272
4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline
CID 72701917
N-ethyl-3-[4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenyl]propan-1-amine
CID 145199812
N,N-dimethyl-2-[4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 3037296
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol
CID 167478355
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 138319933
4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol
CID 177122959
4-[1-(4-hydroxyphenyl)-2-(4-methylphenyl)pent-1-enyl]phenol
CID 143470528

Frequently Asked Questions

What is the IUPAC name of potassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide?
The IUPAC name of potassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide (CID 155723292) is potassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide.
What is the SMILES notation for potassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide?
The canonical SMILES for potassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide is CC/C(=C(\c1ccccc1)c1ccc(C)cc1)c1ccccc1.CCC[N-]C.[K+].
What is the InChIKey of potassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide?
The InChIKey is JCUAUVPLGQIZDL-PPNCFKIXSA-N. The full InChI is InChI=1S/C23H22.C4H10N.K/c1-3-22(19-10-6-4-7-11-19)23(20-12-8-5-9-13-20)21-16-14-18(2)15-17-21;1-3-4-5-2;/h4-17H,3H2,1-2H3;3-4H2,1-2H3;/q;-1;+1/b23-22-;;.
What are the key properties of potassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide?
potassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide has a molecular weight of 409.66 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide is sourced from PubChem (CID 155723292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).