Solvent Green 3

CAT: 0926-FQ40646-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FQ40646-01Size:10 g

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CAS Number

128-80-3

MDL Number

MFCD00001195

Smiles

CC1=CC=C (C=C1) NC2=C3C (=C (C=C2) NC4=CC=C (C=C4) C) C (=O) C5=CC=CC=C5C3=O

Molecular Formula

C28H22N2O2

Molecular Weight

418.49 g/mol

Controlled

Chemical Information

Cyanine Green G Base

CAS Number	128-80-3
PubChem CID	31416
IUPAC Name	1,4-bis(4-methylanilino)anthracene-9,10-dione
Molecular Formula	C28H22N2O2
Molecular Weight	418.5
XLogP	7.8
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	32
Formal Charge	0
Complexity	619

SMILES

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C28H22N2O2/c1-17-7-11-19(12-8-17)29-23-15-16-24(30-20-13-9-18(2)10-14-20)26-25(23)27(31)21-5-3-4-6-22(21)28(26)32/h3-16,29-30H,1-2H3

InChIKey

TVRGPOFMYCMNRB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 128-80-3

CID: 31416

Formula: C28H22N2O2

MW: 418.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	418.5
XLogP3	7.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	418.168127949
Monoisotopic Mass	418.168127949
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	619
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

Catalog	Name
sc-215894A	Solvent Green 3
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