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4-(10,15,20-Triphenylporphyrin-5-yl)phenol

Catalog Number
ACM87345220-2
CAS Number
87345-22-0
Product Name
4-(10,15,20-Triphenylporphyrin-5-yl)phenol
Structure
Category
Porphyrin-A3B1-porphyrin
Synonyms
5,10,15-Triphenyl-20-(4-hydroxyphenyl)-21H,23H-porphyrin; 5-(p-Hydroxyphenyl)-10,15,20-triphenylporphyrin
IUPAC Name
4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenol
Molecular Weight
630.73
Molecular Formula
C44H30N4O
InChI
InChI=1S/C44H30N4O/c49-32-18-16-31(17-19-32)44-39-26-24-37(47-39)42(29-12-6-2-7-13-29)35-22-20-33(45-35)41(28-10-4-1-5-11-28)34-21-23-36(46-34)43(30-14-8-3-9-15-30)38-25-27-40(44)48-38/h1-27,45,48-49H
InChI Key
QMONKZRPMBDZDY-UHFFFAOYSA-N
Purity
95%
Appearance
yellow powder
Complexity
1040
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
630.24196159g/mol
Formal Charge
0
Heavy Atom Count
49
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Monoisotopic Mass
630.24196159g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
77.6Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
10.1
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