3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine

C18H15N — CID 22835573

IUPAC3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine
SMILESC#CC/N=C/C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N/c1-2-14-19-15-13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h1,3-13,15H,14H2/b19-15+
InChIKeyFVAUIDLFQRRJJR-XDJHFCHBSA-N
MW245.32 g/mol
LogP3.82
Rot. Bonds4

About 3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine

3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine (PubChem CID 22835573) has the molecular formula C18H15N and a molecular weight of 245.32 g/mol. Its IUPAC name is 3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine.

Molecular Properties

Compound Name3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine
PubChem CID22835573
Molecular FormulaC18H15N
Molecular Weight245.32 g/mol
Exact Mass245.12
IUPAC Name3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine
SMILESC#CC/N=C/C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N/c1-2-14-19-15-13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h1,3-13,15H,14H2/b19-15+
InChIKeyFVAUIDLFQRRJJR-XDJHFCHBSA-N
XLogP3.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine
CID 54697941
1-phenyl-N-prop-2-ynylmethanimine
CID 4172560
3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium
CID 22835413
[(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
1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone
CID 102475202
N,N-dibenzyl-4-(1,4,4-triphenylbuta-1,3-dienyl)aniline
CID 76569660
N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide
CID 135627037
(E)-3,3-diphenyl-N-pyridin-2-ylprop-2-en-1-imine
CID 177386351
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
4-[(1E,3E)-1,4-diphenyl-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-N,N-diphenylaniline
CID 59084118
[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene
CID 54610555

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine?
The IUPAC name of 3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine (CID 22835573) is 3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine.
What is the SMILES notation for 3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine?
The canonical SMILES for 3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine is C#CC/N=C/C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine?
The InChIKey is FVAUIDLFQRRJJR-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H15N/c1-2-14-19-15-13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h1,3-13,15H,14H2/b19-15+.
What are the key properties of 3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine?
3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine has a molecular weight of 245.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine is sourced from PubChem (CID 22835573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).