N,N',2-triphenylpropane-1,3-diimine

C21H18N2 — CID 54551513

IUPACN,N',2-triphenylpropane-1,3-diimine
SMILESC(=N/c1ccccc1)\C(/C=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2/c1-4-10-18(11-5-1)19(16-22-20-12-6-2-7-13-20)17-23-21-14-8-3-9-15-21/h1-17,19H/b22-16+,23-17+
InChIKeyZKFMDUUKIUTYAR-LKNRODPVSA-N
MW298.39 g/mol
LogP5.58
Rot. Bonds5

About N,N',2-triphenylpropane-1,3-diimine

N,N',2-triphenylpropane-1,3-diimine (PubChem CID 54551513) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N,N',2-triphenylpropane-1,3-diimine.

Molecular Properties

Compound NameN,N',2-triphenylpropane-1,3-diimine
PubChem CID54551513
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC NameN,N',2-triphenylpropane-1,3-diimine
SMILESC(=N/c1ccccc1)\C(/C=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2/c1-4-10-18(11-5-1)19(16-22-20-12-6-2-7-13-20)17-23-21-14-8-3-9-15-21/h1-17,19H/b22-16+,23-17+
InChIKeyZKFMDUUKIUTYAR-LKNRODPVSA-N
XLogP5.58
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride
CID 70596663
(2R,3S)-4-phenyliminobutane-1,2,3-triol
CID 98079118
penta-1,4-dien-3-ylbenzene
CID 15879286
2-ethyl-N-phenylpentan-1-imine
CID 175125022
N,1-diphenylmethanimine
CID 10858
ethane;N-phenylethanimine
CID 91127812
[(2E,5E)-hepta-2,5-dien-4-yl]benzene
CID 102268055
N-methyl-N'-phenylethane-1,2-diimine
CID 21014566
bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine
CID 22968105
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
3-methyl-N-phenylbutan-1-imine
CID 14418149
2,2,2-trifluoro-N-phenylethanimine
CID 86178154

Frequently Asked Questions

What is the IUPAC name of N,N',2-triphenylpropane-1,3-diimine?
The IUPAC name of N,N',2-triphenylpropane-1,3-diimine (CID 54551513) is N,N',2-triphenylpropane-1,3-diimine.
What is the SMILES notation for N,N',2-triphenylpropane-1,3-diimine?
The canonical SMILES for N,N',2-triphenylpropane-1,3-diimine is C(=N/c1ccccc1)\C(/C=N/c1ccccc1)c1ccccc1.
What is the InChIKey of N,N',2-triphenylpropane-1,3-diimine?
The InChIKey is ZKFMDUUKIUTYAR-LKNRODPVSA-N. The full InChI is InChI=1S/C21H18N2/c1-4-10-18(11-5-1)19(16-22-20-12-6-2-7-13-20)17-23-21-14-8-3-9-15-21/h1-17,19H/b22-16+,23-17+.
What are the key properties of N,N',2-triphenylpropane-1,3-diimine?
N,N',2-triphenylpropane-1,3-diimine has a molecular weight of 298.39 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-triphenylpropane-1,3-diimine is sourced from PubChem (CID 54551513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).