What is the molecular formula of 1,10-Bis(3,5-bis(trifluoromethyl)phenyl)-12-hydroxy-3,8-dimethyl-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide?
The molecular formula of the compound is C35H23F12O4P.
What is the molecular weight of the compound?
The molecular weight of the compound is 766.5g/mol.
What is the monoisotopic mass of the compound?
The monoisotopic mass of the compound is 766.1142342.
How many hydrogen bond acceptors are there in the compound?
There are 16 hydrogen bond acceptors in the compound.
How many defined atom stereocenters are there in the compound?
There are 0 defined atom stereocenters in the compound.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CC1=CC(=C2C3=C1CCC34CCC5=C4C(=C(C=C5C)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)OP(=O)(O2)O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C35H23F12O4P/c1-15-7-25(17-9-19(32(36,37)38)13-20(10-17)33(39,40)41)29-27-23(15)3-5-31(27)6-4-24-16(2)8-26(30(28(24)31)51-52(48,49)50-29)18-11-21(34(42,43)44)14-22(12-18)35(45,46)47/h7-14H,3-6H2,1-2H3,(H,48,49).
What is the IUPAC Name of the compound?
The IUPAC Name of the compound is 1,10-bis[3,5-bis(trifluoromethyl)phenyl]-12-hydroxy-3,8-dimethyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 11.1.
What are the Depositor-Supplied Synonyms of the compound?
The Depositor-Supplied Synonyms of the compound are (11AR)-1,10-bis(3,5-bis(trifluoromethyl)phenyl)-12-hydroxy-3,8-dimethyl-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide and (11AS)-1,10-bis(3,5-bis(trifluoromethyl)phenyl)-12-hydroxy-3,8-dimethyl-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide.
