3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate

Catalog Number	ACM1836233625
CAS	1836233-62-5
Synonyms	10,16-Bis[3,5-bis(trifluoromethyl)phenyl]-13-hydroxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxide
IUPAC Name	10,16-bis[3,5-bis(trifluoromethyl)phenyl]-13-hydroxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxide
Molecular Weight	780.54
Molecular Formula	C36H25F12O4P
InChI	INSXQFYWKHPSHX-UHFFFAOYSA-N
InChI Key	InChI=1S/C36H25F12O4P/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(32(30)52-53(49,50)51-31(27)29)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h9-16H,1-8H2,(H,49,50)
Boiling Point	714.4±70.0 °C(Predicted)
Purity	98%
Density	1.57±0.1 g/cm3(Predicted)
Isomeric SMILES	C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F
pKa	1.09±0.20(Predicted)

Q&A

What is the Canonical SMILES for 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate?

The Canonical SMILES for compound is C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F.

How many computed properties are listed for 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate?

There are 15 computed properties listed for 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate.

What is the Computed Properties XLogP3 value for 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate?

The Computed Properties XLogP3 value for compound is 11.9.

What is the name of 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate's Molecular Formula?

The Molecular Formula of compound is C36H25F12O4P.

How many Depositor-Supplied Synonyms are provided for 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate?

There are 22 Depositor-Supplied Synonyms provided for 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate.

What is the exact mass of 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate?

The exact mass of 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate is 780.1298842.

What is the InChIKey for 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate?

The InChIKey for compound is INSXQFYWKHPSHX-UHFFFAOYSA-N.

How many hydrogen bond acceptors does 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate have?

3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate has 16 hydrogen bond acceptors.

What is the complexiy value of 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate's Computed Properties?

The complexity value of the Computed Properties for compound is 1210.

What is the IUPAC Name of 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate?

The IUPAC Name of compound is 10,16-bis[3,5-bis(trifluoromethyl)phenyl]-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxide.