xphos

xphos

CAS: 564483-18-7

Formula: C33H49P

SMILES: CC(C)C1=CC(C(C)C)=C(C(=C1)C(C)C)C1=C(C=CC=C1)P(C1CCCCC1)C1CCCCC1

IUPAC: dicyclohexyl[2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphane

InChI: InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3

Composition: C (83.14%), H (10.36%), P (6.50%)

Molar Mass: 476.729

Atom Count: 83

Heavy Atom Count: 34

Properties

Properties

Common Names	xphos
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	476.357188576
Formal Charge	0
FSP3	0.64
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	UGOMMVLRQDMAQQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	151.71
Topological Polar Surface Area	0
Polarizability	61.18
Ring Count	4
Rotatable Bond Count	6

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