CAS No.51094-17-8,5,10,15,20-TETRAKIS(4-HYDROXYPHENYL)-21H,23H-PORPHINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51094-17-8
Name:	5,10,15,20-TETRAKIS(4-HYDROXYPHENYL)-21H,23H-PORPHINE
Article Data:	72

Formula:	C₄₄H₃₀N₄O₄
Molecular Weight:	678.747
Synonyms:	5,10,15,20-Tetra(4-hydroxyphenyl)-21H,23H-porphine;5,10,15,20-Tetra(4-hydroxyphenyl)porphyrin;5,10,15,20-Tetra(p-hydroxyphenyl)porphine;5,10,15,20-Tetra(p-hydroxyphenyl)porphyrin;5,10,15,20-Tetrakis(4-hydroxyphenyl)-21H,23H-porphine;5,10,15,20-Tetrakis(4-hydroxyphenyl)-21H,23H-porphyrin;5,10,15,20-Tetrakis(4-hydroxyphenyl)porphine;5,10,15,20-Tetrakis(4-hydroxyphenyl)porphyrin;5,10,15,20-Tetrakis(4'-hydroxyphenyl)porphine;5,10,15,20-Tetrakis(p-hydroxyphenyl)porphine;5,10,15,20-Tetrakis(p-hydroxyphenyl)porphyrin;HK 7;HK 7 (porphinederivative);Mesotetrakis(4-hydroxyphenyl)porphyrin;Tetra(p-hydroxyphenyl)porphyrin;Tetrakis(4-hydroxyphenyl)porphyrin;Tetrakis(p-hydroxyphenyl)porphyrin;meso-5,10,15,20-Tetra-(4-hydroxyphenyl)porphyrin;meso-Tetra(4-hydroxyphenyl)porphine;meso-Tetra(4-hydroxyphenyl)porphyrin;meso-Tetra(p-hydroxyphenyl)porphyrin;meso-Tetrakis(4-hydroxyphenyl)porphine;meso-Tetrakis(4-hydroxyphenyl)porphyrin;meso-Tetrakis(p-hydroxyphenyl)porphyrin;a,b,g,d-Tetrakis(4-hydroxyphenyl)porphine;
Density:	1.402 g/cm³
Melting Point:	>300 °C(lit.)
Hazard Symbols:	C
Risk Codes:	34-37
Safety:	26-36/37/39-45
PSA:	137.22000
LogP:	5.68860

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Specification

The Phenol,4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-, with the CAS registry number 51094-17-8, has the systematic name of 4,4',4'',4'''-porphyrin-5,10,15,20-tetrayltetraphenol. And the molecular formula of the chemical is C₄₄H₃₀N₄O₄.

The characteristics of Phenol,4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis- are as followings: (1)ACD/LogP: 8.39; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 8; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 138.28 Å²; (7)Index of Refraction: 1.746; (8)Molar Refractivity: 196.478 cm³; (9)Molar Volume: 484.119 cm³; (10)Polarizability: 77.89×10^-24cm³; (11)Surface Tension: 75.571 dyne/cm; (12)Density: 1.402 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c(ccc(c1)O)/c/2c\3/nc(/c(c/4\[nH]/c(c(\c5n/c(c(\c6[nH]c2cc6)/c7ccc(cc7)O)/C=C5)/c8ccc(cc8)O)/cc4)/c9ccc(cc9)O)C=C3
(2)InChI: InChI=1/C44H30N4O4/c49-29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(50)12-4-26)37-21-23-39(47-37)44(28-7-15-32(52)16-8-28)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(51)14-6-27/h1-24,45,48-52H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
(3)InChIKey: VFHDWGAEEDVVPD-LWQDQPMZBP