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bis(triphenylphosphine)iminium chloride

bis(triphenylphosphine)iminium chloride

CAS: 21050-13-5

Formula: C36H30ClNP2

SMILES: [Cl-].C1=CC=C(C=C1)P(=[N+]=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: bis(triphenyl-λ⁵-phosphanylidene)azanium chloride

InChI: InChI=1S/C36H30NP2.ClH/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H;1H/q+1;/p-1

Composition: C (75.33%), H (5.27%), Cl (6.18%), N (2.44%), P (10.79%)

Molar Mass: 574.04

Atom Count: 70

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 573.1542017
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey LVRCYPYRKNAAMX-UHFFFAOYSA-M
Lipinski's Rule of Five
Molar Refractivity 167.96
Topological Polar Surface Area 0
Polarizability 65.33
Ring Count 6
Rotatable Bond Count 6

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