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Pyrrolo[3,4-c]pyrrole-1,4-dione,3,6-bis([1,1'-biphenyl]-4-yl)-2,5-dihydro- (88949-33-1)

Identification
Name:Pyrrolo[3,4-c]pyrrole-1,4-dione,3,6-bis([1,1'-biphenyl]-4-yl)-2,5-dihydro-
Synonyms:1,4-Diketo-3,6-bis(4-biphenylyl)pyrrolo[3,4-c]pyrrole;1,4-Diketo-3,6-di(biphenyl-4-yl)pyrrolo(3,4-c)pyrrole;3,6-Bis(4-biphenylyl)-1,4-diketopyrrolo[3,4-c]pyrrole;3,6-Bis(4-biphenylyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione; C.I. 561300;C.I. Pigment Red 264; DPP Rubine TR; Irgazin DPP Rubine FTX; Irgazin DPP RubineTR; Irgazin Ruby Opaque; Pigment Red 264; Rubine TR
CAS:88949-33-1
Molecular Formula: C30H20 N2 O2
Molecular Weight: 0
Molecular Structure: (C30H20N2O2) 1,4-Diketo-3,6-bis(4-biphenylyl)pyrrolo[3,4-c]pyrrole;1,4-Diketo-3,6-di(biphenyl-4-yl)pyrrolo(3,4-c)...
Properties
Density:1.36
Specification:

The CAS register number of Pigment Red 264 is 88949-33-1. It also can be called as Pyrrolo[3,4-c]pyrrole-1,4-dione,3,6-bis([1,1'-biphenyl]-4-yl)-2,5-dihydro- and the systematic name about this chemical is 3,6-di(biphenyl-4-yl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione. The molecular formula about this chemical is C30H20N2O2 and molecular weight is 440.49.

Physical properties about Pigment Red 264 are: (1)ACD/LogP: 7.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.09; (4)ACD/LogD (pH 7.4): 7.07; (5)ACD/BCF (pH 5.5): 144517.11; (6)ACD/BCF (pH 7.4): 136063.13; (7)ACD/KOC (pH 5.5): 171770.91; (8)ACD/KOC (pH 7.4): 161722.61; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.62Å2; (13)Index of Refraction: 1.746; (14)Molar Refractivity: 131.01 cm3; (15)Molar Volume: 322.8 cm3; (16)Polarizability: 51.93x10-24cm3; (17)Surface Tension: 68.9 dyne/cm; (18)Enthalpy of Vaporization: 111.7 kJ/mol; (19)Boiling Point: 767.1 °C at 760 mmHg; (20)Vapour Pressure: 1.91E-23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3C=4/C(=C(/c2ccc(c1ccccc1)cc2)N3)/C(=O)NC=4c6ccc(c5ccccc5)cc6
(2)InChI: InChI=1/C30H20N2O2/c33-29-25-26(28(32-29)24-17-13-22(14-18-24)20-9-5-2-6-10-20)30(34)31-27(25)23-15-11-21(12-16-23)19-7-3-1-4-8-19/h1-18H,(H,31,34)(H,32,33)
(3)InChIKey: YLGDYASRRVBIRS-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C30H20N2O2/c33-29-25-26(28(32-29)24-17-13-22(14-18-24)20-9-5-2-6-10-20)30(34)31-27(25)23-15-11-21(12-16-23)19-7-3-1-4-8-19/h1-18H,(H,31,34)(H,32,33)
(5)Std. InChIKey: YLGDYASRRVBIRS-UHFFFAOYSA-N

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