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

C18H14N- — CID 54697941

IUPAC3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine
SMILESC#CC/N=[C-]/C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14N/c1-2-14-19-15-13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h1,3-13H,14H2/q-1
InChIKeyVXCAPOVBNLMVCZ-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.70
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 54697941) has the molecular formula C18H14N- and a molecular weight of 244.32 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 CID54697941
Molecular FormulaC18H14N-
Molecular Weight244.32 g/mol
Exact Mass244.11
IUPAC Name3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine
SMILESC#CC/N=[C-]/C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14N/c1-2-14-19-15-13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h1,3-13H,14H2/q-1
InChIKeyVXCAPOVBNLMVCZ-UHFFFAOYSA-N
XLogP3.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 22835573
3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium
CID 54697933
2-(benzhydrylideneamino)pent-4-ynal
CID 88966855
3,3-diphenylprop-2-enylidene-methyl-prop-2-ynylazanium
CID 22835413
1-phenyl-N-prop-2-ynylmethanimine
CID 4172560
N-ethynyl-2,2-diphenylethenimine
CID 140945321
CID 173126547
CID 173126547
CID 54697932
CID 54697932
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
3,3-diphenylprop-2-ene-1-thiol
CID 87371964
benzene;3,3-diphenylprop-2-enenitrile
CID 174934225
1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine
CID 11738820

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 54697941) 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 VXCAPOVBNLMVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N/c1-2-14-19-15-13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h1,3-13H,14H2/q-1.
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 244.32 g/mol, XLogP of 3.70, 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 54697941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).