phenyl dinaphthalen-1-yloxyphosphorylformate

C27H19O5P — CID 87699801

IUPACphenyl dinaphthalen-1-yloxyphosphorylformate
SMILESO=C(Oc1ccccc1)P(=O)(Oc1cccc2ccccc12)Oc1cccc2ccccc12
InChIInChI=1S/C27H19O5P/c28-27(30-22-14-2-1-3-15-22)33(29,31-25-18-8-12-20-10-4-6-16-23(20)25)32-26-19-9-13-21-11-5-7-17-24(21)26/h1-19H
InChIKeyPHLLYZCHHBJJSL-UHFFFAOYSA-N
MW454.42 g/mol
LogP7.84
Rot. Bonds6

About phenyl dinaphthalen-1-yloxyphosphorylformate

phenyl dinaphthalen-1-yloxyphosphorylformate (PubChem CID 87699801) has the molecular formula C27H19O5P and a molecular weight of 454.42 g/mol. Its IUPAC name is phenyl dinaphthalen-1-yloxyphosphorylformate.

Molecular Properties

Compound Namephenyl dinaphthalen-1-yloxyphosphorylformate
PubChem CID87699801
Molecular FormulaC27H19O5P
Molecular Weight454.42 g/mol
Exact Mass454.10
IUPAC Namephenyl dinaphthalen-1-yloxyphosphorylformate
SMILESO=C(Oc1ccccc1)P(=O)(Oc1cccc2ccccc12)Oc1cccc2ccccc12
InChIInChI=1S/C27H19O5P/c28-27(30-22-14-2-1-3-15-22)33(29,31-25-18-8-12-20-10-4-6-16-23(20)25)32-26-19-9-13-21-11-5-7-17-24(21)26/h1-19H
InChIKeyPHLLYZCHHBJJSL-UHFFFAOYSA-N
XLogP7.84
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.42
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-O-naphthalen-1-yl 1-O-phenyl oxalate
CID 57149132
1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one
CID 23002016
sodium naphthalen-1-yl phosphate
CID 22991747
silver naphthalen-1-yl phosphate
CID 23471186
dicesium;naphthalen-1-yl phosphate
CID 139842203
[hydroxy(naphthalen-1-yloxy)phosphoryl] formate
CID 67570808
benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate
CID 146653962
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
(2S)-2-[[naphthalen-1-yloxy-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]propanoic acid
CID 138491690
naphthalen-1-yl 2-chloroacetate
CID 588968
[hydroperoxy(naphthalen-1-yloxy)phosphoryl] formate
CID 87632049
4-naphthalen-1-yloxy-3,4-dioxobutanoic acid
CID 54039245

Frequently Asked Questions

What is the IUPAC name of phenyl dinaphthalen-1-yloxyphosphorylformate?
The IUPAC name of phenyl dinaphthalen-1-yloxyphosphorylformate (CID 87699801) is phenyl dinaphthalen-1-yloxyphosphorylformate.
What is the SMILES notation for phenyl dinaphthalen-1-yloxyphosphorylformate?
The canonical SMILES for phenyl dinaphthalen-1-yloxyphosphorylformate is O=C(Oc1ccccc1)P(=O)(Oc1cccc2ccccc12)Oc1cccc2ccccc12.
What is the InChIKey of phenyl dinaphthalen-1-yloxyphosphorylformate?
The InChIKey is PHLLYZCHHBJJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19O5P/c28-27(30-22-14-2-1-3-15-22)33(29,31-25-18-8-12-20-10-4-6-16-23(20)25)32-26-19-9-13-21-11-5-7-17-24(21)26/h1-19H.
What are the key properties of phenyl dinaphthalen-1-yloxyphosphorylformate?
phenyl dinaphthalen-1-yloxyphosphorylformate has a molecular weight of 454.42 g/mol, XLogP of 7.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl dinaphthalen-1-yloxyphosphorylformate is sourced from PubChem (CID 87699801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).