Synonyms
p-tolyltriphenylphosphonium tetra-p-tolylborate;181259-37-0;SCHEMBL503495;MFCD28348384;p-Tolyltriphenylphosphoniumtetra-p-tolylborate (TPTP-MK);
IUPAC Name
(4-methylphenyl)-triphenylphosphanium;tetrakis(4-methylphenyl)boranuide;
Molecular Weight
728.767g/mol
Molecular Formula
C53H50BP;
Canonical SMILES
[B-](C1=CC=C(C=C1)C)(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.CC1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4;
InChI
InChI=1S/C28H28B.C25H22P/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;1-21-17-19-25(20-18-21)26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h5-20H,1-4H3;2-20H,1H3/q-1;+1;
InChI Key
QLYBBNPXASCQEM-UHFFFAOYSA-N;
Complexity
745
Covalently-Bonded Unit Count
2
Exact Mass
728.374g/mol
H-Bond Acceptor
1
Heavy Atom Count
55
Monoisotopic Mass
728.374g/mol
Rotatable Bond Count
8
Topological Polar Surface Area
0A^2
