3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium

C19H18N+ — CID 22835413

IUPAC3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium
SMILESC#CC/[N+](C)=C/C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18N/c1-3-15-20(2)16-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h1,4-14,16H,15H2,2H3/q+1/b20-16+
InChIKeyJGGZBTVQIYLBTG-CAPFRKAQSA-N
MW260.36 g/mol
LogP3.46
Rot. Bonds4

About 3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium

3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium (PubChem CID 22835413) has the molecular formula C19H18N+ and a molecular weight of 260.36 g/mol. Its IUPAC name is 3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium.

Molecular Properties

Compound Name3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium
PubChem CID22835413
Molecular FormulaC19H18N+
Molecular Weight260.36 g/mol
Exact Mass260.14
IUPAC Name3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium
SMILESC#CC/[N+](C)=C/C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18N/c1-3-15-20(2)16-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h1,4-14,16H,15H2,2H3/q+1/b20-16+
InChIKeyJGGZBTVQIYLBTG-CAPFRKAQSA-N
XLogP3.46
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium
CID 54697933
3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine
CID 22835573
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline
CID 22124141
N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline
CID 23526005
3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine
CID 54697941
CID 54697932
CID 54697932
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene
CID 54610555
1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene
CID 175363200
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230
(E)-1-phenyl-N-prop-2-ynoxyethanimine
CID 6113693

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium?
The IUPAC name of 3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium (CID 22835413) is 3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium.
What is the SMILES notation for 3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium?
The canonical SMILES for 3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium is C#CC/[N+](C)=C/C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium?
The InChIKey is JGGZBTVQIYLBTG-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H18N/c1-3-15-20(2)16-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h1,4-14,16H,15H2,2H3/q+1/b20-16+.
What are the key properties of 3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium?
3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium has a molecular weight of 260.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium is sourced from PubChem (CID 22835413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).