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126157-76-4 | Pyridinium, 3,3'-(15,20-diphenyl-21H,23H-porphine-5,10-diyl)bis[1-methyl-
CAS No: 126157-76-4 Catalog No: AG000RV5 MDL No:
Product Description
Catalog Number:
AG000RV5
Chemical Name:
Pyridinium, 3,3'-(15,20-diphenyl-21H,23H-porphine-5,10-diyl)bis[1-methyl-
CAS Number:
126157-76-4
Molecular Formula:
C44H34N6++
Molecular Weight:
646.7810
IUPAC Name:
5,10-bis(1-methylpyridin-1-ium-3-yl)-15,20-diphenyl-21,23-dihydroporphyrin
InChI:
InChI=1S/C44H34N6/c1-49-25-9-15-31(27-49)43-37-21-19-35(46-37)41(29-11-5-3-6-12-29)33-17-18-34(45-33)42(30-13-7-4-8-14-30)36-20-22-38(47-36)44(40-24-23-39(43)48-40)32-16-10-26-50(2)28-32/h3-28,46-47H,1-2H3/q+2
InChI Key:
DTJACUYLOMRWEO-UHFFFAOYSA-N
SMILES:
C[n+]1cccc(c1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccccc1)C=C3)c1ccccc1)[nH]2)c1ccc[n+](c1)C
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
646.284g/mol
Formal Charge:
2
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
646.798g/mol
Monoisotopic Mass:
646.284g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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