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69509-35-9 | IODORHODIUM(III) TETRAPHENYLPORPHYRIN
CAS No: 69509-35-9 Catalog No: AG005XKP MDL No:
Product Description
Catalog Number:
AG005XKP
Chemical Name:
IODORHODIUM(III) TETRAPHENYLPORPHYRIN
CAS Number:
69509-35-9
Molecular Formula:
C44H30IN4Rh++
Molecular Weight:
844.5458
IUPAC Name:
iodorhodium(2+);10,12,13,23-tetraphenyl-21H-porphyrin
InChI:
InChI=1S/C44H30N4.HI.Rh/c1-5-13-30(14-6-1)41-39-26-25-36(47-39)28-35-22-21-33(45-35)27-34-23-24-37(46-34)29-40-42(31-15-7-2-8-16-31)43(32-17-9-3-10-18-32)44(41)48(40)38-19-11-4-12-20-38;;/h1-29,45H;1H;/q;;+3/p-1
InChI Key:
ITBGOWYYJUXIPE-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)C1=C2C=CC(=N2)C=c2ccc(=CC3=NC(=Cc4n(c1c(c1ccccc1)c4c1ccccc1)c1ccccc1)C=C3)[nH]2.[Rh+2]I
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
844.057g/mol
Formal Charge:
2
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
844.562g/mol
Monoisotopic Mass:
844.057g/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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