[(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane

C49H52O2P2 — CID 24787587

IUPAC[(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cccc3c2-c2c(cccc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)O[C@H](C)C[C@@H](C)O3)c1
InChIInChI=1S/C49H52O2P2/c1-30-17-31(2)22-40(21-30)52(41-23-32(3)18-33(4)24-41)46-15-11-13-44-48(46)49-45(51-39(10)29-38(9)50-44)14-12-16-47(49)53(42-25-34(5)19-35(6)26-42)43-27-36(7)20-37(8)28-43/h11-28,38-39H,29H2,1-10H3/t38-,39-/m1/s1
InChIKeyAYODEEOODFMMOD-LJEWAXOPSA-N
MW734.90 g/mol
LogP10.28
Rot. Bonds6

About [(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane

[(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane (PubChem CID 24787587) has the molecular formula C49H52O2P2 and a molecular weight of 734.90 g/mol. Its IUPAC name is [(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Name[(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane
PubChem CID24787587
Molecular FormulaC49H52O2P2
Molecular Weight734.90 g/mol
Exact Mass734.34
IUPAC Name[(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cccc3c2-c2c(cccc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)O[C@H](C)C[C@@H](C)O3)c1
InChIInChI=1S/C49H52O2P2/c1-30-17-31(2)22-40(21-30)52(41-23-32(3)18-33(4)24-41)46-15-11-13-44-48(46)49-45(51-39(10)29-38(9)50-44)14-12-16-47(49)53(42-25-34(5)19-35(6)26-42)43-27-36(7)20-37(8)28-43/h11-28,38-39H,29H2,1-10H3/t38-,39-/m1/s1
InChIKeyAYODEEOODFMMOD-LJEWAXOPSA-N
XLogP10.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane?
The IUPAC name of [(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane (CID 24787587) is [(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane.
What is the SMILES notation for [(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane?
The canonical SMILES for [(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane is Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cccc3c2-c2c(cccc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)O[C@H](C)C[C@@H](C)O3)c1.
What is the InChIKey of [(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane?
The InChIKey is AYODEEOODFMMOD-LJEWAXOPSA-N. The full InChI is InChI=1S/C49H52O2P2/c1-30-17-31(2)22-40(21-30)52(41-23-32(3)18-33(4)24-41)46-15-11-13-44-48(46)49-45(51-39(10)29-38(9)50-44)14-12-16-47(49)53(42-25-34(5)19-35(6)26-42)43-27-36(7)20-37(8)28-43/h11-28,38-39H,29H2,1-10H3/t38-,39-/m1/s1.
What are the key properties of [(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane?
[(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane has a molecular weight of 734.90 g/mol, XLogP of 10.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(9R,11R)-17-bis(3,5-dimethylphenyl)phosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 24787587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).