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1443925-31-2 | 21H,23H-Porphine, 5,10,15,20-tetrakis(4'-bromo[1,1'-biphenyl]-4-yl)-
CAS No: 1443925-31-2 Catalog No: AG001JFG MDL No:
Product Description
Catalog Number:
AG001JFG
Chemical Name:
21H,23H-Porphine, 5,10,15,20-tetrakis(4'-bromo[1,1'-biphenyl]-4-yl)-
CAS Number:
1443925-31-2
Molecular Formula:
C68H42Br4N4
Molecular Weight:
1234.7039
IUPAC Name:
5,10,15,20-tetrakis[4-(4-bromophenyl)phenyl]-21,23-dihydroporphyrin
InChI:
InChI=1S/C68H42Br4N4/c69-53-25-17-45(18-26-53)41-1-9-49(10-2-41)65-57-33-35-59(73-57)66(50-11-3-42(4-12-50)46-19-27-54(70)28-20-46)61-37-39-63(75-61)68(52-15-7-44(8-16-52)48-23-31-56(72)32-24-48)64-40-38-62(76-64)67(60-36-34-58(65)74-60)51-13-5-43(6-14-51)47-21-29-55(71)30-22-47/h1-40,73,76H
InChI Key:
YKOZURAUOKGISY-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(cc1)c1ccc(cc1)Br)C=C3)c1ccc(cc1)c1ccc(cc1)Br)[nH]2)c1ccc(cc1)c1ccc(cc1)Br
Properties
Complexity:
1520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1234.01g/mol
Formal Charge:
0
Heavy Atom Count:
76
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
1234.728g/mol
Monoisotopic Mass:
1230.014g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
19.7
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