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1'-methyl-1-[10-(triphenylphosphaniumyl)decyl]-[4,4'-bipyridine]-1,1'-diium triiodide

1'-methyl-1-[10-(triphenylphosphaniumyl)decyl]-[4,4'-bipyridine]-1,1'-diium triiodide

Formula: C39H46I3N2P

SMILES: [I-].[I-].[I-].C[N+]1=CC=C(C=C1)C1=CC=[N+](CCCCCCCCCC[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1

IUPAC: 1'-methyl-1-[10-(triphenylphosphaniumyl)decyl]-[4,4'-bipyridine]-1,1'-diium triiodide

InChI: InChI=1S/C39H46N2P.3HI/c1-40-30-25-35(26-31-40)36-27-32-41(33-28-36)29-17-6-4-2-3-5-7-18-34-42(37-19-11-8-12-20-37,38-21-13-9-14-22-38)39-23-15-10-16-24-39;;;/h8-16,19-28,30-33H,2-7,17-18,29,34H2,1H3;3*1H/q+3;;;/p-3

Composition: C (49.08%), H (4.86%), I (39.89%), N (2.93%), P (3.25%)

Molar Mass: 954.498

Atom Count: 91

Heavy Atom Count: 45

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 954.05327
Formal Charge 0
FSP3 0.28
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey AOZZGHKENAZYTD-UHFFFAOYSA-K
Lipinski's Rule of Five
Molar Refractivity 181.56
Topological Polar Surface Area 7.76
Polarizability 72.05
Ring Count 5
Rotatable Bond Count 15

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