5,10,15,20-Tetraphenyl-21H,23H-porphine ruthenium(II) carbonyl

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Catalog Number
ACM32073840-1
Product Name
5,10,15,20-Tetraphenyl-21H,23H-porphine ruthenium(II) carbonyl
Structure
Structure
CAS
32073-84-0
Category
Organic & Printed Electronics
Synonyms
Carbon monoxide;rhodium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
IUPAC Name
carbon monoxide;rhodium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
Molecular Weight
743.6
Molecular Formula
C45H28N4ORh
Canonical SMILES
[C-]#[O+].C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Rh+2]
InChI
InChI=1S/C44H28N4.CO.Rh/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-2;/h1-28H;/q-2;+2
InChI Key
DXHUCYNUSWOHBR-UHFFFAOYSA-N
Complexity
1340
Covalently-Bonded Unit Count
3
Exact Mass
743.13181
Formal Charge
0
H-Bond Acceptor
5
H-Bond Donor
0
Heavy Atom Count
51
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
0
Monoisotopic Mass
743.13181
Rotatable Bond Count
4
Topological Polar Surface Area
27.7 Ų
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