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

C19H17N — CID 54697933

IUPAC3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium
SMILESC#CC/[N+](C)=[C-]/C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N/c1-3-15-20(2)16-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h1,4-14H,15H2,2H3
InChIKeyBJIZHOMQZGMPLE-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.34
Rot. Bonds4

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

3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium (PubChem CID 54697933) has the molecular formula C19H17N and a molecular weight of 259.35 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 CID54697933
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium
SMILESC#CC/[N+](C)=[C-]/C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N/c1-3-15-20(2)16-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h1,4-14H,15H2,2H3
InChIKeyBJIZHOMQZGMPLE-UHFFFAOYSA-N
XLogP3.34
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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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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 54697933) 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 BJIZHOMQZGMPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-3-15-20(2)16-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h1,4-14H,15H2,2H3.
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 259.35 g/mol, XLogP of 3.34, 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 54697933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).