Dicyclohexyl(2',4',6'-tri-tert-butyl-[1,1'-biphenyl]-2-yl)phosphine

Catalog Number	ACM1160556626
CAS	1160556-62-6
Synonyms	2-(Dicyclohexylphosphino)-2',4',6'-Tri-Tert-Butyl-1,1'-Biphenyl; Dicyclohexyl-[2-(2,4,6-Tritert-Butylphenyl)Phenyl]Phosphane
IUPAC Name	dicyclohexyl-[2-(2,4,6-tritert-butylphenyl)phenyl]phosphane
Molecular Weight	518.86
Molecular Formula	C36H55P
InChI	KLQXTSWJFQDLAL-UHFFFAOYSA-N
InChI Key	InChI=1S/C36H55P/c1-34(2,3)26-24-30(35(4,5)6)33(31(25-26)36(7,8)9)29-22-16-17-23-32(29)37(27-18-12-10-13-19-27)28-20-14-11-15-21-28/h16-17,22-25,27-28H,10-15,18-21H2,1-9H3
Boiling Point	570.3±49.0 °C(Predicted)
Purity	98%
Isomeric SMILES	CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)(C)C

Q&A

What is the molecular formula of dicyclohexyl(2',4',6'-tri-tert-butyl-[1,1'-biphenyl]-2-yl)phosphine?

The molecular formula is C36H55P.

What is the exact mass of dicyclohexyl(2',4',6'-tri-tert-butyl-[1,1'-biphenyl]-2-yl)phosphine?

The exact mass is 518.40413875 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is dicyclohexyl-[2-(2,4,6-tritert-butylphenyl)phenyl]phosphane.

How many heavy atoms are present in the compound?

There are 37 heavy atoms present.

What is the Canonical SMILES of the compound?

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)(C)C

What is the Computed Properties XLogP3 value?

The XLogP3 value is 11.8.

What is the InChI of the compound?

InChI=1S/C36H55P/c1-34(2,3)26-24-30(35(4,5)6)33(31(25-26)36(7,8)9)29-22-16-17-23-32(29)37(27-18-12-10-13-19-27)28-20-14-11-15-21-28/h16-17,22-25,27-28H,10-15,18-21H2,1-9H3

What is the InChIKey of the compound?

KLQXTSWJFQDLAL-UHFFFAOYSA-N

How many rotatable bonds are present in the compound?

There are 7 rotatable bonds present.

What is the depositor-supplied synonym for the compound?

The depositor-supplied synonym is 2-(dicyclohexylphosphino)-2',4',6'-tri-tert-butyl-1,1'-biphenyl.