Solvent Red 52

CAT: 0127-OR1029697-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1029697-02Size:5 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

81-39-0

Synonyms

14-methyl-10- (4-methylanilino) -14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1 (16),2,4,6,9,11,13 (17) -heptaene-8,15-dione

Purity

98%

Smiles

N(C1=C2C=3C(C=4C(C2=O)=CC=CC4)=CC(=O)N(C)C3C=C1)C5=CC=C(C)C=C5

Chemical Information

3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione

CAS Number	81-39-0
PubChem CID	66476
IUPAC Name	14-methyl-10-(4-methylanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
Molecular Formula	C24H18N2O2
Molecular Weight	366.4
XLogP	4.7
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	28
Formal Charge	0
Complexity	678

SMILES

CC1=CC=C(C=C1)NC2=C3C4=C(C=C2)N(C(=O)C=C4C5=CC=CC=C5C3=O)C

InChI

InChI=1S/C24H18N2O2/c1-14-7-9-15(10-8-14)25-19-11-12-20-22-18(13-21(27)26(20)2)16-5-3-4-6-17(16)24(28)23(19)22/h3-13,25H,1-2H3

InChIKey

VJUKWPOWHJITTP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 81-39-0

CID: 66476

Formula: C24H18N2O2

MW: 366.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	366.4
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	366.136827821
Monoisotopic Mass	366.136827821
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	678
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