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iridium(3+) bis(2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine) 4,4'-bis(trifluoromethyl)-2,2'-bipyridine

iridium(3+) bis(2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine) 4,4'-bis(trifluoromethyl)-2,2'-bipyridine

Formula: C38H18F20IrN4

SMILES: [Ir+3].FC(F)(F)C1=CC(=NC=C1)C1=NC=CC(=C1)C(F)(F)F.FC1=C(C=CC(=C1)C(F)(F)F)C1=NC=C(C=C1)C(F)(F)F.FC1=C(C=CC(=C1)C(F)(F)F)C1=NC=C(C=C1)C(F)(F)F

IUPAC: iridium(3+) bis(2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine) 4,4'-bis(trifluoromethyl)-2,2'-bipyridine

InChI: InChI=1S/2C13H6F7N.C12H6F6N2.Ir/c2*14-10-5-7(12(15,16)17)1-3-9(10)11-4-2-8(6-21-11)13(18,19)20;13-11(14,15)7-1-3-19-9(5-7)10-6-8(2-4-20-10)12(16,17)18;/h2*1-6H;1-6H;/q;;;+3

Composition: C (41.39%), H (1.65%), F (34.46%), Ir (17.43%), N (5.08%)

Molar Mass: 1102.773

Atom Count: 81

Heavy Atom Count: 63

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 1103.0824857
Formal Charge 3
FSP3 0.16
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey PFNPVXRLCZZOBU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 60.83
Topological Polar Surface Area 12.89
Polarizability 22.58
Ring Count 6
Rotatable Bond Count 9

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