[1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate

C28H32O8P2 — CID 11432924

IUPAC[1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate
SMILESCCOP(=O)(OCC)Oc1ccc2ccccc2c1-c1c(OP(=O)(OCC)OCC)ccc2ccccc12
InChIInChI=1S/C28H32O8P2/c1-5-31-37(29,32-6-2)35-25-19-17-21-13-9-11-15-23(21)27(25)28-24-16-12-10-14-22(24)18-20-26(28)36-38(30,33-7-3)34-8-4/h9-20H,5-8H2,1-4H3
InChIKeyKYORCZVRBFCXKX-UHFFFAOYSA-N
MW558.50 g/mol
LogP8.78
Rot. Bonds13

About [1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate

[1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate (PubChem CID 11432924) has the molecular formula C28H32O8P2 and a molecular weight of 558.50 g/mol. Its IUPAC name is [1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate.

Molecular Properties

Compound Name[1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate
PubChem CID11432924
Molecular FormulaC28H32O8P2
Molecular Weight558.50 g/mol
Exact Mass558.16
IUPAC Name[1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate
SMILESCCOP(=O)(OCC)Oc1ccc2ccccc2c1-c1c(OP(=O)(OCC)OCC)ccc2ccccc12
InChIInChI=1S/C28H32O8P2/c1-5-31-37(29,32-6-2)35-25-19-17-21-13-9-11-15-23(21)27(25)28-24-16-12-10-14-22(24)18-20-26(28)36-38(30,33-7-3)34-8-4/h9-20H,5-8H2,1-4H3
InChIKeyKYORCZVRBFCXKX-UHFFFAOYSA-N
XLogP8.78
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.50
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene
CID 122233213
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate
CID 15162418
diethyl (3-phenanthren-9-ylphenyl) phosphate
CID 54542518
diethyl [2-(sulfanylmethyl)phenyl] phosphate
CID 87703315
[3,5-bis(diethoxyphosphoryloxy)phenyl] diethyl phosphate
CID 101168778
[1-(2-dimethylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-dimethylphosphane
CID 20820418
[1-(2-butanoyloxynaphthalen-1-yl)naphthalen-2-yl] butanoate
CID 11004443
anthracen-9-yl(ethoxy)phosphinic acid
CID 102403899
6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran
CID 59216878
trimethyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]oxysilane
CID 53486788
1-diethoxyphosphorylnaphthalen-2-ol
CID 15782261
benzyl 2-bis(phenylmethoxy)phosphoryloxynaphthalene-1-carboxylate
CID 122423546

Frequently Asked Questions

What is the IUPAC name of [1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate?
The IUPAC name of [1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate (CID 11432924) is [1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate.
What is the SMILES notation for [1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate?
The canonical SMILES for [1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate is CCOP(=O)(OCC)Oc1ccc2ccccc2c1-c1c(OP(=O)(OCC)OCC)ccc2ccccc12.
What is the InChIKey of [1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate?
The InChIKey is KYORCZVRBFCXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O8P2/c1-5-31-37(29,32-6-2)35-25-19-17-21-13-9-11-15-23(21)27(25)28-24-16-12-10-14-22(24)18-20-26(28)36-38(30,33-7-3)34-8-4/h9-20H,5-8H2,1-4H3.
What are the key properties of [1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate?
[1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate has a molecular weight of 558.50 g/mol, XLogP of 8.78, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate is sourced from PubChem (CID 11432924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).