2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane

C40H36OP2 — CID 11767136

IUPAC2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane
SMILESc1ccc(P(CCc2ccc(Oc3ccc(CCP(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C40H36OP2/c1-5-13-37(14-6-1)42(38-15-7-2-8-16-38)31-29-33-21-25-35(26-22-33)41-36-27-23-34(24-28-36)30-32-43(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-28H,29-32H2
InChIKeyRPFSUHROBYETMH-UHFFFAOYSA-N
MW594.68 g/mol
LogP8.83
Rot. Bonds12

About 2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane

2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane (PubChem CID 11767136) has the molecular formula C40H36OP2 and a molecular weight of 594.68 g/mol. Its IUPAC name is 2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane.

Molecular Properties

Compound Name2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane
PubChem CID11767136
Molecular FormulaC40H36OP2
Molecular Weight594.68 g/mol
Exact Mass594.22
IUPAC Name2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane
SMILESc1ccc(P(CCc2ccc(Oc3ccc(CCP(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C40H36OP2/c1-5-13-37(14-6-1)42(38-15-7-2-8-16-38)31-29-33-21-25-35(26-22-33)41-36-27-23-34(24-28-36)30-32-43(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-28H,29-32H2
InChIKeyRPFSUHROBYETMH-UHFFFAOYSA-N
XLogP8.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.68
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
2-(3-ethylphenyl)ethyl-diphenylphosphane
CID 150107410
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
diphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane
CID 68558192
1-(3,3-dimethylbutyl)-4-phenoxybenzene
CID 59674279
4-[4-(3-phenylpropyl)phenoxy]aniline
CID 123730632
1-phenoxy-4-(3,3,3-trifluoropropyl)benzene
CID 13188955
CID 159259752
CID 159259752
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane?
The IUPAC name of 2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane (CID 11767136) is 2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane.
What is the SMILES notation for 2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane?
The canonical SMILES for 2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane is c1ccc(P(CCc2ccc(Oc3ccc(CCP(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane?
The InChIKey is RPFSUHROBYETMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36OP2/c1-5-13-37(14-6-1)42(38-15-7-2-8-16-38)31-29-33-21-25-35(26-22-33)41-36-27-23-34(24-28-36)30-32-43(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-28H,29-32H2.
What are the key properties of 2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane?
2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane has a molecular weight of 594.68 g/mol, XLogP of 8.83, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane is sourced from PubChem (CID 11767136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).