bis(10-diphenylphosphanyldecoxy)-phenylphosphane

C50H65O2P3 — CID 12054176

IUPACbis(10-diphenylphosphanyldecoxy)-phenylphosphane
SMILESc1ccc(P(OCCCCCCCCCCP(c2ccccc2)c2ccccc2)OCCCCCCCCCCP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H65O2P3/c1(3-7-11-30-44-53(46-32-18-13-19-33-46)47-34-20-14-21-35-47)5-9-28-42-51-55(50-40-26-17-27-41-50)52-43-29-10-6-2-4-8-12-31-45-54(48-36-22-15-23-37-48)49-38-24-16-25-39-49/h13-27,32-41H,1-12,28-31,42-45H2
InChIKeyWXJIPOKTZAIEKK-UHFFFAOYSA-N
MW790.99 g/mol
LogP13.16
Rot. Bonds29

About bis(10-diphenylphosphanyldecoxy)-phenylphosphane

bis(10-diphenylphosphanyldecoxy)-phenylphosphane (PubChem CID 12054176) has the molecular formula C50H65O2P3 and a molecular weight of 790.99 g/mol. Its IUPAC name is bis(10-diphenylphosphanyldecoxy)-phenylphosphane.

Molecular Properties

Compound Namebis(10-diphenylphosphanyldecoxy)-phenylphosphane
PubChem CID12054176
Molecular FormulaC50H65O2P3
Molecular Weight790.99 g/mol
Exact Mass790.42
IUPAC Namebis(10-diphenylphosphanyldecoxy)-phenylphosphane
SMILESc1ccc(P(OCCCCCCCCCCP(c2ccccc2)c2ccccc2)OCCCCCCCCCCP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H65O2P3/c1(3-7-11-30-44-53(46-32-18-13-19-33-46)47-34-20-14-21-35-47)5-9-28-42-51-55(50-40-26-17-27-41-50)52-43-29-10-6-2-4-8-12-31-45-54(48-36-22-15-23-37-48)49-38-24-16-25-39-49/h13-27,32-41H,1-12,28-31,42-45H2
InChIKeyWXJIPOKTZAIEKK-UHFFFAOYSA-N
XLogP13.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.99
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
dibromocobalt;6-diphenylphosphanylhexyl(diphenyl)phosphane
CID 11377369
ethoxy-hexoxy-phenylphosphane
CID 154163043
butoxy-ethoxy-phenylphosphane;ethane
CID 142525942
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123
bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate
CID 10996904
3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)
CID 134888828
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
8-diphenylphosphanyloctanoic acid
CID 20679688
10-diphenylphosphanyldecanoic acid
CID 71402645
3-O-(5-diphenylphosphanylpentyl) 1-O-ethyl propanedioate
CID 101262624
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884

Frequently Asked Questions

What is the IUPAC name of bis(10-diphenylphosphanyldecoxy)-phenylphosphane?
The IUPAC name of bis(10-diphenylphosphanyldecoxy)-phenylphosphane (CID 12054176) is bis(10-diphenylphosphanyldecoxy)-phenylphosphane.
What is the SMILES notation for bis(10-diphenylphosphanyldecoxy)-phenylphosphane?
The canonical SMILES for bis(10-diphenylphosphanyldecoxy)-phenylphosphane is c1ccc(P(OCCCCCCCCCCP(c2ccccc2)c2ccccc2)OCCCCCCCCCCP(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(10-diphenylphosphanyldecoxy)-phenylphosphane?
The InChIKey is WXJIPOKTZAIEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H65O2P3/c1(3-7-11-30-44-53(46-32-18-13-19-33-46)47-34-20-14-21-35-47)5-9-28-42-51-55(50-40-26-17-27-41-50)52-43-29-10-6-2-4-8-12-31-45-54(48-36-22-15-23-37-48)49-38-24-16-25-39-49/h13-27,32-41H,1-12,28-31,42-45H2.
What are the key properties of bis(10-diphenylphosphanyldecoxy)-phenylphosphane?
bis(10-diphenylphosphanyldecoxy)-phenylphosphane has a molecular weight of 790.99 g/mol, XLogP of 13.16, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(10-diphenylphosphanyldecoxy)-phenylphosphane is sourced from PubChem (CID 12054176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).