870245-75-3 Purity
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Specification
The molecular formula is C39H58OP2.
The molecular weight is 604.8 g/mol.
It was created on November 16, 2011.
The IUPAC name is dicyclohexyl-(5-dicyclohexylphosphanyl-9,9-dimethyl-4a,9a-dihydroxanthen-4-yl)phosphane.
The InChI is InChI=1S/C39H58OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h15-16,25-33,37H,3-14,17-24H2,1-2H3.
The InChIKey is OFIYIILYWDAQSK-UHFFFAOYSA-N.
The Canonical SMILES is CC1(C2C=CC=C(C2OC3=C1C=CC=C3P(C4CCCCC4)C5CCCCC5)P(C6CCCCC6)C7CCCCC7)C.
The XLogP3-AA is 10.2.
It has 0 hydrogen bond donor counts.
It has 6 rotatable bond counts.