- 5-0185 (Beilstein Handbook Reference) 6850-22-2
- 5,10,15,20-Tetra(4-methylphenyl)-21H,23H-porphine
- 5,10,15,20-Tetra(4-pyridyl)porphyrin
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Cas Database |
| Name |
5,10,15,20-Tetra(4-methylphenyl)-21H,23H-porphine |
EINECS | N/A |
| CAS No. | 14527-51-6 | Density | 1.207 g/cm3 |
| PSA | 56.30000 | LogP | 8.09980 |
| Solubility | N/A | Melting Point |
>300℃ |
| Formula | C48H38N4 | Boiling Point | N/A |
| Molecular Weight | 670.857 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5,10,15,20-Tetrakis(4-methylphenyl)porphyrin;5,10,15,20-Tetrakis(p-methylphenyl)porphyrin;5,10,15,20-Tetrakis(p-tolyl)porphyrin;Tetra(p-methylphenyl)porphyrin;Tetra-p-tolylporphyrin;Tetrakis(p-tolyl)porphyrin;meso-5,10,15,20-Tetrakis(p-tolyl)porphyrin;meso-Tetra(4-methylphenyl)porphyrin;meso-Tetra-p-tolylporphine;meso-Tetra-p-tolylporphyrin;meso-Tetrakis(4-methylphenyl)porphyrin;meso-Tetrakis(4-tolyl)porphine;meso-Tetrakis(p-tolyl)porphyrin;a,b,g,d-Tetrakis(4-methylphenyl)porphine;Porphine, a,b,g,d-tetra-p-tolyl- (7CI);5,10,15,20-Tetra(p-tolyl)porphine;5,10,15,20-Tetra-p-methylphenylporphyrin;5,10,15,20-Tetra-p-tolylporphyrin;5,10,15,20-Tetrakis(4-methylphenyl)-21H,23H-porphine;Porphine,5,10,15,20-tetra-p-tolyl- (8CI); |
Article Data | 65 |
5,10,15,20-Tetra(4-methylphenyl)-21H,23H-porphine Specification
The 21H,23H-Porphine,5,10,15,20-tetrakis(4-methylphenyl)-, with the CAS registry number 14527-51-6, is also known as 5,10,15,20-Tetra-p-tolylporphyrin. This chemical's molecular formula is C48H38N4 and molecular weight is 670.84. What's more, its IUPAC name is 5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin.
Physical properties of 21H,23H-Porphine,5,10,15,20-tetrakis(4-methylphenyl)- are: (1)ACD/LogP: 14.20; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 35.64 Å2; (7)Index of Refraction: 1.673; (8)Molar Refractivity: 208.25 cm3; (9)Molar Volume: 555.5 cm3; (10)Polarizability: 82.55×10-24cm3; (11)Surface Tension: 55.7 dyne/cm; (12)Density: 1.207 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N3
(2)InChI: InChI=1S/C48H38N4/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35/h5-28,49-50H,1-4H3
(3)InChIKey: XNOMLEHGHNPLMW-UHFFFAOYSA-N
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