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Chem 5101520 Tetrakis35 Dimethoxyphenylporphyrin Dsrpl | Cheminformatics

5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)porphyrin


  • SKU Code: CH141544
Chemical Name - 5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)porphyrin
Mol Weight - 854.957
Smiles - COc1cc(C(c2ccc(C(c3cc(OC)cc(OC)c3)=C3N=C4C=C3)[nH]2)=C(C=C2)N=C2C(c2cc(OC)cc(OC)c2)=C(C=C2)NC2=C4c2cc(OC)cc(OC)c2)cc(OC)c1
Property Name Property Value
Mol Name5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)porphyrin
Molweight854.957
Monoisotopic Mass854.331566
Clogp5.2616
Clogs-8.809
H Acceptors12
H Donors2
Total Surface Area654.53
Relative Psa0.19628
Polar Surface Area126.38
Druglikeness1.3089
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.29688
Molecular Flexibility0.21384
Molecular Complexity1.0435
Fragments1
Non H Atoms64
Non Ch Atoms12
Electronegative Atoms12
Rotatable Bonds12
Rings Closures9
Small Rings8
Aromatic Rings5
Aromatic Atoms29
Sp3 Atoms16
Symmetric Atoms39
Aromatic Nitrogens1
Basic Nitrogens2
SmilesCOc1cc(C(c2ccc(C(c3cc(OC)cc(OC)c3)=C3N=C4C=C3)[nH]2)=C(C=C2)N=C2C(c2cc(OC)cc(OC)c2)=C(C=C2)NC2=C4c2cc(OC)cc(OC)c2)cc(OC)c1
InChIKeyInChI=1S/C52H46N4O8/c1-57-33-17-29(18-34(25-33)58-2)49-41-9-11-43(53-41)50(30-19-35(59-3)26-36(20-30)60-4)45-13-15-47(55-45)52(32-23-39(63-7)28-40(24-32)64-8)48-16-14-46(56-48)51(44-12-10-42(49)54-44)
InChIYNXRFPUCCCJMPX-UHFFFAOYSA-N

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