CAS No.22112-78-3,5,10,15,20-TETRAKIS(4-METHOXYPHENYL)-21H,23H-PORPHINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	22112-78-3
Name:	5,10,15,20-TETRAKIS(4-METHOXYPHENYL)-21H,23H-PORPHINE
Article Data:	87

Formula:	C₄₈H₃₈N₄O₄
Molecular Weight:	734.854
Synonyms:	Porphine,5,10,15,20-tetrakis(p-methoxyphenyl)- (8CI);Porphine, a,b,g,d-tetrakis(p-methoxyphenyl)- (7CI);5,10,15,20-Tetra(4-methoxyphenyl)porphyrin;5,10,15,20-Tetra(p-methoxyphenyl)porphyrin;5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine;5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin;5,10,15,20-Tetrakis(p-methoxyphenyl)porphine;5,10,15,20-Tetrakis(p-methoxyphenyl)porphyrin;Mesotetrakis(4-methoxyphenyl)porphyrin;NSC 241210;Tetra(p-methoxyphenyl)porphyrin;Tetrakis(4-methoxyphenyl)porphine;Tetrakis(4-methoxyphenyl)porphyrin;Tetrakis(p-methoxyphenyl)porphine;Tetrakis(p-methoxyphenyl)porphyrin;meso-Tetra(4-methoxyphenyl)porphyrin;meso-Tetra(p-methoxyphenyl)porphine;meso-Tetrakis(4-methoxylphenyl)porphyrin;meso-Tetrakis(4-methoxyphenyl)porphine;meso-Tetrakis(4-methoxyphenyl)porphyrin;meso-Tetrakis(p-methoxyphenyl)porphyrin;
Density:	1.253 g/cm³
Melting Point:	>27 °C
PSA:	93.22000
LogP:	6.90060

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Specification

The 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine is an organic compound with the formula C₄₈H₃₈N₄O₄. The IUPAC name of this chemical is 5,10,15,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin. With the CAS registry number 22112-78-3, it is also named as Porphine, 5,10,15,20-Tetrakis(para-methoxyphenyl)-. The product's categories are Biochemistry; Porphyrins.

Physical properties about this chemical are: (1)ACD/LogP: 10.20; (2)# of Rule of 5 Violations: 2 ; (3)#H bond acceptors: 8; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 94.28Å²; (7)Index of Refraction: 1.657; (8)Molar Refractivity: 215.666 cm³; (9)Molar Volume: 586.409 cm³; (10)Polarizability: 85.497×10^-24cm³; (11)Surface Tension: 54.596 dyne/cm; (12)Density: 1.253 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)c7c2\C=C/c(n2)c(c3nc(cc3)c(c\4nc(/C=C/4)c(c5ccc(OC)cc5)c6ccc7n6)c8ccc(OC)cc8)c9ccc(OC)cc9
(2)InChI: InChI=1/C48H38N4O4/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31/h5-28,49,52H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
(3)InChIKey: PJOJZHHAECOAFH-PJEPRTEXBM
(4)Std. InChI: InChI=1S/C48H38N4O4/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31/h5-28,49,52H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
(5)Std. InChIKey: PJOJZHHAECOAFH-PJEPRTEXSA-N