Name: Pyrrolo3,4-cpyrrole-1,4-dione, 3,6-bis(1,1-biphenyl-4-yl)-2,5-dihydro-
SKU: 88949-33-1

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Basic Information

Molecular Structure:
CAS No.:	88949-33-1
Name:	Pyrrolo3,4-cpyrrole-1,4-dione, 3,6-bis(1,1-biphenyl-4-yl)-2,5-dihydro-
Article Data:	5

Formula:	C₃₀H₂₀N₂O₂
Molecular Weight:	440.501
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;DPP Rubine TR;Irgazin DPP Rubine FTX;Irgazin DPP RubineTR;Irgazin Ruby Opaque;Pigment Red 264;Rubine TR;
Density:	1.36 g/cm³
Boiling Point:	767.1 °C at 760 mmHg
Flash Point:	250.5 °C
PSA:	65.18000
LogP:	5.95440

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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 C₃₀H₂₀N₂O₂and 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