N,N',3-triphenylprop-2-ynimidamide

C21H16N2 — CID 139160871

IUPACN,N',3-triphenylprop-2-ynimidamide
SMILESC(#Cc1ccccc1)/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H16N2/c1-4-10-18(11-5-1)16-17-21(22-19-12-6-2-7-13-19)23-20-14-8-3-9-15-20/h1-15H,(H,22,23)
InChIKeyDESOYROJANWTRD-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.88
Rot. Bonds2

About N,N',3-triphenylprop-2-ynimidamide

N,N',3-triphenylprop-2-ynimidamide (PubChem CID 139160871) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N,N',3-triphenylprop-2-ynimidamide.

Molecular Properties

Compound NameN,N',3-triphenylprop-2-ynimidamide
PubChem CID139160871
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC NameN,N',3-triphenylprop-2-ynimidamide
SMILESC(#Cc1ccccc1)/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H16N2/c1-4-10-18(11-5-1)16-17-21(22-19-12-6-2-7-13-19)23-20-14-8-3-9-15-20/h1-15H,(H,22,23)
InChIKeyDESOYROJANWTRD-UHFFFAOYSA-N
XLogP4.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide
CID 122216328
N'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide
CID 122216332
3-phenyl-N,N'-bis(2,4,6-trimethylphenyl)prop-2-ynimidamide
CID 20660785
1-chloro-1,1-difluoro-N,4-diphenylbut-3-yn-2-imine
CID 132933309
dimethylgallane;N,N'-diphenylethanimidamide
CID 173308791
3-phenyl-N,N'-bis[2-(trifluoromethyl)phenyl]prop-2-ynimidamide
CID 20660787
zinc;1,2-diphenylguanidine;oxygen(2-);sulfane;hydrate
CID 172780752
[(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate
CID 6382718
(2-chlorophenyl) N,N'-diphenylcarbamimidothioate
CID 134917443
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
1-(C,N-diphenylcarbonimidoyl)-3-phenylurea
CID 135454305
1,6-diphenylhex-3-en-1,5-diyne-3,4-dithiol
CID 72543052

Frequently Asked Questions

What is the IUPAC name of N,N',3-triphenylprop-2-ynimidamide?
The IUPAC name of N,N',3-triphenylprop-2-ynimidamide (CID 139160871) is N,N',3-triphenylprop-2-ynimidamide.
What is the SMILES notation for N,N',3-triphenylprop-2-ynimidamide?
The canonical SMILES for N,N',3-triphenylprop-2-ynimidamide is C(#Cc1ccccc1)/C(=N\c1ccccc1)Nc1ccccc1.
What is the InChIKey of N,N',3-triphenylprop-2-ynimidamide?
The InChIKey is DESOYROJANWTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-4-10-18(11-5-1)16-17-21(22-19-12-6-2-7-13-19)23-20-14-8-3-9-15-20/h1-15H,(H,22,23).
What are the key properties of N,N',3-triphenylprop-2-ynimidamide?
N,N',3-triphenylprop-2-ynimidamide has a molecular weight of 296.37 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',3-triphenylprop-2-ynimidamide is sourced from PubChem (CID 139160871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).