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5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin

Catalog Number
ACM119730062-1
Product Name
5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin
Structure
5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin
CAS
119730-06-2
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Synonyms
5-(4-Carbomethoxyphenyl)-10,15,20-triphenylporphyrin; 5-(4-Methoxycarbonylphenyl)-10,15,20-triphenyl-21H,23H-porphine
IUPAC Name
methyl 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate;
Molecular Weight
672.77
Molecular Formula
C46H32N4O2
SMILES
COC(=O)C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)N4)C9=CC=CC=C9;
InChI
InChI=1S/C46H32N4O2/c1-52-46(51)33-19-17-32(18-20-33)45-40-27-25-38(49-40)43(30-13-7-3-8-14-30)36-23-21-34(47-36)42(29-11-5-2-6-12-29)35-22-24-37(48-35)44(31-15-9-4-10-16-31)39-26-28-41(45)50-39/h2-28,47,50H,1H3;
InChI Key
AUUXSDUVWMAVMR-UHFFFAOYSA-N;
Purity
0.98
Appearance
Soild
Rotatable Bond Count
6
Exact Mass
672.253g/mol
Monoisotopic Mass
672.253g/mol
Topological Polar Surface Area
83.7A^2
Heavy Atom Count
52
Complexity
1160
Covalently-Bonded Unit Count
1
H-Bond Donor
2
H-Bond Acceptor
4
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