dialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane)

C33H27Al2O9P3 — CID 159960659

IUPACdialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane)
SMILESO=P([O-])([O-])Cc1cccc2ccccc12.O=P([O-])([O-])Cc1cccc2ccccc12.O=P([O-])([O-])Cc1cccc2ccccc12.[Al+3].[Al+3]
InChIInChI=1S/3C11H11O3P.2Al/c3*12-15(13,14)8-10-6-3-5-9-4-1-2-7-11(9)10;;/h3*1-7H,8H2,(H2,12,13,14);;/q;;;2*+3/p-6
InChIKeyODGYIUXDTUTHEN-UHFFFAOYSA-H
MW714.46 g/mol
LogP3.00
Rot. Bonds6

About dialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane)

dialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane) (PubChem CID 159960659) has the molecular formula C33H27Al2O9P3 and a molecular weight of 714.46 g/mol. Its IUPAC name is dialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane).

Molecular Properties

Compound Namedialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane)
PubChem CID159960659
Molecular FormulaC33H27Al2O9P3
Molecular Weight714.46 g/mol
Exact Mass714.05
IUPAC Namedialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane)
SMILESO=P([O-])([O-])Cc1cccc2ccccc12.O=P([O-])([O-])Cc1cccc2ccccc12.O=P([O-])([O-])Cc1cccc2ccccc12.[Al+3].[Al+3]
InChIInChI=1S/3C11H11O3P.2Al/c3*12-15(13,14)8-10-6-3-5-9-4-1-2-7-11(9)10;;/h3*1-7H,8H2,(H2,12,13,14);;/q;;;2*+3/p-6
InChIKeyODGYIUXDTUTHEN-UHFFFAOYSA-H
XLogP3.00
TPSA189.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500714.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane
CID 172839887
azane;1-ethylnaphthalene
CID 19048185
lithium dinaphthalen-1-ylphosphinate
CID 141248266
1-(2-dichlorophosphorylethyl)naphthalene
CID 18630427
CID 66760372
CID 66760372
sodium;1-ethylnaphthalene;hydride
CID 174300793
[5-(phosphonomethyl)naphthalen-1-yl]methylphosphonic acid
CID 102099727
3-naphthalen-1-yl-2-oxopropanoate
CID 18448912
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
[2-(naphthalen-1-ylmethyl)-3-phosphonopropyl]phosphonic acid
CID 88666663
CID 57419547
CID 57419547
sodium naphthalen-1-yl phosphate
CID 22991747

Frequently Asked Questions

What is the IUPAC name of dialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane)?
The IUPAC name of dialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane) (CID 159960659) is dialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane).
What is the SMILES notation for dialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane)?
The canonical SMILES for dialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane) is O=P([O-])([O-])Cc1cccc2ccccc12.O=P([O-])([O-])Cc1cccc2ccccc12.O=P([O-])([O-])Cc1cccc2ccccc12.[Al+3].[Al+3].
What is the InChIKey of dialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane)?
The InChIKey is ODGYIUXDTUTHEN-UHFFFAOYSA-H. The full InChI is InChI=1S/3C11H11O3P.2Al/c3*12-15(13,14)8-10-6-3-5-9-4-1-2-7-11(9)10;;/h3*1-7H,8H2,(H2,12,13,14);;/q;;;2*+3/p-6.
What are the key properties of dialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane)?
dialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane) has a molecular weight of 714.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane) is sourced from PubChem (CID 159960659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).