Home Other Building Blocks 1,1'-[(5aR,8aR,14aR)-5a,6,7,8,8a,9-Hexahydro-5H-[1]benzopyrano[3,2-d]xanthene-1,13-diyl]bis[1,1-bis(4-methylphenyl)phosphine

1,1'-[(5aR,8aR,14aR)-5a,6,7,8,8a,9-Hexahydro-5H-[1]benzopyrano[3,2-d]xanthene-1,13-diyl]bis[1,1-bis(4-methylphenyl)phosphine

CAS No.:
1429939-32-1
Catalog Number:
AG0039PG
Molecular Formula:
C48H46O2P2
Molecular Weight:
716.8252
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Product Description
Catalog Number:
AG0039PG
Chemical Name:
1,1'-[(5aR,8aR,14aR)-5a,6,7,8,8a,9-Hexahydro-5H-[1]benzopyrano[3,2-d]xanthene-1,13-diyl]bis[1,1-bis(4-methylphenyl)phosphine
CAS Number:
1429939-32-1
Molecular Formula:
C48H46O2P2
Molecular Weight:
716.8252
MDL Number:
MFCD25372936
IUPAC Name:
[20-bis(4-methylphenyl)phosphanyl-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,16(21),17,19-hexaen-4-yl]-bis(4-methylphenyl)phosphane
InChI:
InChI=1S/C48H46O2P2/c1-32-14-22-40(23-15-32)51(41-24-16-33(2)17-25-41)44-12-5-8-36-30-38-10-7-11-39-31-37-9-6-13-45(47(37)50-48(38,39)49-46(36)44)52(42-26-18-34(3)19-27-42)43-28-20-35(4)21-29-43/h5-6,8-9,12-29,38-39H,7,10-11,30-31H2,1-4H3
InChI Key:
QGOSBHUTQQGVPA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)P(c1cccc2c1OC13Oc4c(CC3CCCC1C2)cccc4P(c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C
Properties
Complexity:
1010  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
716.297g/mol
Formal Charge:
0
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
716.842g/mol
Monoisotopic Mass:
716.297g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
12  
Properties