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BG dimer

CAT: 0013-GTR19189324Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189324Size:25 mg
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Description
BG dimer is an organic luminogenic small molecule exhibiting aggregation-induced emission (AIE) . It serves as a versatile research tool for bioimaging and sensing applications in both in vitro and in vivo studies due to its enhanced emission in aggregated states.
CAS Number
2700187-91-1
Smiles
Nc1nc (Nc2nc (N) nc (n2) -c2ccccc2) nc (n1) -c1ccccc1
Molecular Formula
C18H15N9
Molecular Weight
357.381
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

BG dimer
CAS Number2700187-91-1
PubChem CID163321278
IUPAC Name2-N-(4-amino-6-phenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazine-2,4-diamine
Molecular FormulaC18H15N9
Molecular Weight357.4
XLogP3.3
Topological Polar Surface Area141
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity412
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)NC3=NC(=NC(=N3)N)C4=CC=CC=C4)N
InChI
InChI=1S/C18H15N9/c19-15-21-13(11-7-3-1-4-8-11)23-17(25-15)27-18-24-14(22-16(20)26-18)12-9-5-2-6-10-12/h1-10H,(H5,19,20,21,22,23,24,25,26,27)
InChIKey
RUSRQFRWEGAZDY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BG dimer
CAS: 2700187-91-1
CID: 163321278
Formula: C18H15N9
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass357.14504152
Monoisotopic Mass357.14504152
Topological Polar Surface Area141 Ų
Heavy Atom Count27
Formal Charge0
Complexity412
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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