4,4'-(Thiophene-2,5-diyl)dibenzonitrile

Product Information

Molecular Formula:
C18H10N2S
Molecular Weight:
286.35
IUPAC Name
4-[5-(4-cyanophenyl)thiophen-2-yl]benzonitrile
Canonical SMILES
C1=CC(=CC=C1C#N)C2=CC=C(S2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C18H10N2S/c19-11-13-1-5-15(6-2-13)17-9-10-18(21-17)16-7-3-14(12-20)4-8-16/h1-10H
InChI Key
HKDJGRLOXRXWOF-UHFFFAOYSA-N
Purity
98%

Computed Properties

XLogP3
4.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
286.0564695
Monoisotopic Mass
286.0564695
Topological Polar Surface Area
75.8
Heavy Atom Count
21
Formal Charge
0
Complexity
398
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113912844-A Triazine ring connection-based aromatic two-dimensional organic framework nano material and preparation method thereof 2021-10-21
CA-2832149-A1 Photochromic and electrochromic diarylcyclopentene derivatives 2011-09-30
CA-2832149-C Photochromic and electrochromic diarylcyclopentene derivatives 2011-09-30
CN-103890133-A Switching materials, and compositions and methods for making same 2011-09-30
EP-2760969-A1 Photochromic and electrochromic diarylcyclopentene derivatives as optical filters 2011-09-30
KR-20190124800-A Diarylethene compounds and uses thereof 2011-09-30
US-10072023-B2 Diarylethene compounds and uses thereof 2011-09-30
US-10556912-B2 Diarylethene compounds and uses thereof 2011-09-30
US-2018339995-A1 Photochromic and electrochromic diarylcyclopentene derivatives as optical filters 2011-09-30
US-2019256526-A1 Diarylethene compounds and uses thereof 2011-09-30
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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