N-ethynyl-2,2-diphenylethenimine

C16H11N — CID 140945321

IUPACN-ethynyl-2,2-diphenylethenimine
SMILESC#CN=C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H11N/c1-2-17-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h1,3-12H
InChIKeyUFKRMQYGOWOTOS-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.38
Rot. Bonds2

About N-ethynyl-2,2-diphenylethenimine

N-ethynyl-2,2-diphenylethenimine (PubChem CID 140945321) has the molecular formula C16H11N and a molecular weight of 217.27 g/mol. Its IUPAC name is N-ethynyl-2,2-diphenylethenimine.

Molecular Properties

Compound NameN-ethynyl-2,2-diphenylethenimine
PubChem CID140945321
Molecular FormulaC16H11N
Molecular Weight217.27 g/mol
Exact Mass217.09
IUPAC NameN-ethynyl-2,2-diphenylethenimine
SMILESC#CN=C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H11N/c1-2-17-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h1,3-12H
InChIKeyUFKRMQYGOWOTOS-UHFFFAOYSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.38
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

1,3,3-triphenyl(1,2,3-13C3)propa-1,2-dienylbenzene
CID 15621535
2,2-diphenylethenylidenetungsten
CID 11081645
lithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine
CID 23670629
ethyl N-ethynylbenzenecarboximidate
CID 134869997
S-ethynyl benzenecarbothioate
CID 88520034
(2-oxo-1-phenylethenyl) hypochlorite
CID 86622261
2-(N-ethynyl-C-phenylcarbonimidoyl)oxyacetic acid
CID 146474717
1-phenylpenta-2,4-diyn-1-one
CID 592950
(1-phenyl-2-sulfinylethenyl)benzene
CID 134893268
3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine
CID 54697941
2,2-diphenyl-N-[2-(2-trimethylsilylethynyl)phenyl]ethenimine
CID 10832689
N-benzhydrylidene-2-(2,2-diphenylethenylideneamino)benzamide
CID 11306080

Frequently Asked Questions

What is the IUPAC name of N-ethynyl-2,2-diphenylethenimine?
The IUPAC name of N-ethynyl-2,2-diphenylethenimine (CID 140945321) is N-ethynyl-2,2-diphenylethenimine.
What is the SMILES notation for N-ethynyl-2,2-diphenylethenimine?
The canonical SMILES for N-ethynyl-2,2-diphenylethenimine is C#CN=C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-ethynyl-2,2-diphenylethenimine?
The InChIKey is UFKRMQYGOWOTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N/c1-2-17-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h1,3-12H.
What are the key properties of N-ethynyl-2,2-diphenylethenimine?
N-ethynyl-2,2-diphenylethenimine has a molecular weight of 217.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethynyl-2,2-diphenylethenimine is sourced from PubChem (CID 140945321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).