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85990-32-5 | IODORHODIUM(III) TETRAMESITYLPORPHYRIN
CAS No: 85990-32-5 Catalog No: AG004M68 MDL No:
Product Description
Catalog Number:
AG004M68
Chemical Name:
IODORHODIUM(III) TETRAMESITYLPORPHYRIN
CAS Number:
85990-32-5
Molecular Formula:
C56H54IN4Rh++
Molecular Weight:
1012.8647
IUPAC Name:
iodorhodium(2+);10,12,13,23-tetrakis(2,4,6-trimethylphenyl)-21H-porphyrin
InChI:
InChI=1S/C56H54N4.HI.Rh/c1-30-19-34(5)49(35(6)20-30)52-47-18-17-45(59-47)28-44-14-13-42(57-44)27-43-15-16-46(58-43)29-48-53(50-36(7)21-31(2)22-37(50)8)54(51-38(9)23-32(3)24-39(51)10)56(52)60(48)55-40(11)25-33(4)26-41(55)12;;/h13-29,57H,1-12H3;1H;/q;;+3/p-1
InChI Key:
QJLYTODMOWWSRK-UHFFFAOYSA-M
SMILES:
Cc1cc(C)c(c(c1)C)C1=C2C=CC(=N2)C=c2ccc(=CC3=NC(=Cc4n(c1c(c1c(C)cc(cc1C)C)c4c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)C=C3)[nH]2.I[Rh+2]
Properties
Complexity:
1370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1012.245g/mol
Formal Charge:
2
Heavy Atom Count:
62
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
1012.886g/mol
Monoisotopic Mass:
1012.245g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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