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21H,23H-Porphine,5,10,15,20-tetrakis(4-methoxyphenyl)- (22112-78-3)

Identification
Name:21H,23H-Porphine,5,10,15,20-tetrakis(4-methoxyphenyl)-
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;
CAS:22112-78-3
Molecular Formula: C48H38N4O4
Molecular Weight: 734.84
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-
Molecular Structure: (C48H38N4O4) Porphine,5,10,15,20-tetrakis(p-methoxyphenyl)- (8CI);Porphine, a,b,g,d-tetrakis(p-methoxyphenyl)- (7...
Properties
Density:1.253 g/cm3
Refractive index:1.657
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

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