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56279-27-7

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Basic Information
CAS No.: 56279-27-7
Name: 10,12-Dihydro-7H,11H-benz[de]imidazo[4',5':5,6]benzimidazo[2,1-a]isoquinoline-7,11-dione
Molecular Structure:
Molecular Structure of 56279-27-7 (10,12-Dihydro-7H,11H-benz[de]imidazo[4',5':5,6]benzimidazo[2,1-a]isoquinoline-7,11-dione)
Formula: C19H10N4O2
Molecular Weight: 330.31
Synonyms: C.I.507300;C.I. Pigment Yellow 192;10,12-Dihydro-7H,11H-benz[de]imidazo[4',5':5,6]benzimidazo[2,1-a]isoquinoline-7,11-dione;
Density: 1.747 g/cm3
Boiling Point: 620.4oC at 760mmHg
Flash Point: 329oC
PSA: 79.58000
LogP: 0.36290
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Specification

The Pigment Yellow 192, with the CAS registry number 56279-27-7, is also known as C.I.507300. This chemical's molecular formula is C19H10N4O2 and molecular weight is 330.31. What's more, its systematic name is 10,12-Dihydro-7H,11H-benzo[de]imidazo[4',5':5,6]benzimidazo[2,1-a]isoquinoline-7,11-dione. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. 

Physical properties of Pigment Yellow 192 are: (1)ACD/LogP: 3.357; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 209.27; (6)ACD/BCF (pH 7.4): 209.60; (7)ACD/KOC (pH 5.5): 1594.31; (8)ACD/KOC (pH 7.4): 1596.80; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 76.02 Å2; (13)Index of Refraction: 1.941; (14)Molar Refractivity: 89.636 cm3; (15)Molar Volume: 186.786 cm3; (16)Polarizability: 35.534×10-24cm3; (17)Surface Tension: 83.07 dyne/cm; (18)Density: 1.747 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C5Nc4cc6nc2n(C(=O)c1cccc3c1c2ccc3)c6cc4N5
(2)Std. InChI: InChI=1S/C19H10N4O2/c24-18-11-6-2-4-9-3-1-5-10(16(9)11)17-20-14-7-12-13(22-19(25)21-12)8-15(14)23(17)18/h1-8H,(H2,21,22,25)
(3)Std. InChIKey: FRNXZNBGSBEKHW-UHFFFAOYSA-N