[2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane

C41H38O8P2 — CID 135084859

IUPAC[2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane
SMILESCc1cc2ccccc2c(-c2c(OPOc3ccccc3C3OCCCO3)ccc3ccccc23)c1OPOc1ccccc1C1OCCCO1
InChIInChI=1S/C41H38O8P2/c1-27-26-29-13-3-5-15-31(29)38(39(27)49-51-47-35-19-9-7-17-33(35)41-44-24-11-25-45-41)37-30-14-4-2-12-28(30)20-21-36(37)48-50-46-34-18-8-6-16-32(34)40-42-22-10-23-43-40/h2-9,12-21,26,40-41,50-51H,10-11,22-25H2,1H3
InChIKeyVZBYEXIHSJAMHO-UHFFFAOYSA-N
MW720.70 g/mol
LogP10.77
Rot. Bonds11

About [2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane

[2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane (PubChem CID 135084859) has the molecular formula C41H38O8P2 and a molecular weight of 720.70 g/mol. Its IUPAC name is [2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane.

Molecular Properties

Compound Name[2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane
PubChem CID135084859
Molecular FormulaC41H38O8P2
Molecular Weight720.70 g/mol
Exact Mass720.20
IUPAC Name[2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane
SMILESCc1cc2ccccc2c(-c2c(OPOc3ccccc3C3OCCCO3)ccc3ccccc23)c1OPOc1ccccc1C1OCCCO1
InChIInChI=1S/C41H38O8P2/c1-27-26-29-13-3-5-15-31(29)38(39(27)49-51-47-35-19-9-7-17-33(35)41-44-24-11-25-45-41)37-30-14-4-2-12-28(30)20-21-36(37)48-50-46-34-18-8-6-16-32(34)40-42-22-10-23-43-40/h2-9,12-21,26,40-41,50-51H,10-11,22-25H2,1H3
InChIKeyVZBYEXIHSJAMHO-UHFFFAOYSA-N
XLogP10.77
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.70
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
propyl 4-[3-acetyl-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)phenoxy]phosphanyloxynaphthalen-1-yl]-3-[2-(5,5-dimethyl-1,3-dioxan-2-yl)phenoxy]phosphanyloxynaphthalene-2-carboxylate
CID 59037636
2-[3-(methoxymethyl)naphthalen-1-yl]-1,3-dioxane
CID 68576625
(2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane
CID 54294686
ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate
CID 137346136
[(4-methylphenyl)methylamino]-[3-(2-propan-2-ylphenoxy)phosphanyloxy-4-[2-(2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]methanol
CID 54379750
[1-(2-dimethylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-dimethylphosphane
CID 20820418
N,N-dimethyl-4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]benzamide
CID 175640506
(2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane
CID 89326132
3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
CID 54848963
trimethyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]oxysilane
CID 53486788
4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide
CID 172666445

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane?
The IUPAC name of [2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane (CID 135084859) is [2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane.
What is the SMILES notation for [2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane?
The canonical SMILES for [2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane is Cc1cc2ccccc2c(-c2c(OPOc3ccccc3C3OCCCO3)ccc3ccccc23)c1OPOc1ccccc1C1OCCCO1.
What is the InChIKey of [2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane?
The InChIKey is VZBYEXIHSJAMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38O8P2/c1-27-26-29-13-3-5-15-31(29)38(39(27)49-51-47-35-19-9-7-17-33(35)41-44-24-11-25-45-41)37-30-14-4-2-12-28(30)20-21-36(37)48-50-46-34-18-8-6-16-32(34)40-42-22-10-23-43-40/h2-9,12-21,26,40-41,50-51H,10-11,22-25H2,1H3.
What are the key properties of [2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane?
[2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane has a molecular weight of 720.70 g/mol, XLogP of 10.77, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane is sourced from PubChem (CID 135084859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).