(R)-2,2'-Bis[bis(3,5-ditrifluoromethylphenyl)phosphino]-1,1'-binaphthyl

Catalog Number	ACM220196281-1
CAS	220196-28-1
IUPAC Name	[1-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
Molecular Weight	1166.66
Molecular Formula	C52H24F24P2
InChI	IOQCSIFZTLDUHN-UHFFFAOYSA-N
InChI Key	InChI=1S/C52H24F24P2/c53-45(54,55)27-13-28(46(56,57)58)18-35(17-27)77(36-19-29(47(59,60)61)14-30(20-36)48(62,63)64)41-11-9-25-5-1-3-7-39(25)43(41)44-40-8-4-2-6-26(40)10-12-42(44)78(37-21-31(49(65,66)67)15-32(22-37)50(68,69)70)38-23-33(51(71,72)73)16-34(24-38)52(74,75)76/h1-24H
Purity	98%
Isomeric SMILES	C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)P(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)P(C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F

Q&A

What is the exact mass of the compound?

The exact mass of the compound is 1166.0970007.

What is the canonical SMILES representation of the compound?

The canonical SMILES representation of the compound is C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)P(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)P(C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F.

What is the IUPAC name of the compound?

The IUPAC name of the compound is [1-[2-Bis[3,5-bis(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane.

What is the molecular formula of the compound?

The molecular formula of the compound is C52H24F24P2.

How many hydrogen bond acceptor counts does the compound have?

The compound has 24 hydrogen bond acceptor counts.

What is the depositor-supplied synonym of the compound with the CID 4190005?

The depositor-supplied synonym of the compound with CID 4190005 is (R)-(+)-2,2'-BIS[BIS(3,5-DITRIFLUOROMETHYLPHENYL)PHOSPHINO]-1,1'-BINAPHTHYL.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 18.5.

How many rotatable bonds does the compound have?

The compound has 7 rotatable bonds.

What is the name of the compound formula when written in an alternative format?

The name of the compound formula written in an alternative format is [1-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane.

What is the computed property for the heavy atom count of the compound?

The computed property for the heavy atom count of the compound is 78.