phenyl bis(phenyldiazenyl) phosphate

C18H15N4O4P — CID 175035628

IUPACphenyl bis(phenyldiazenyl) phosphate
SMILESO=P(O/N=N/c1ccccc1)(O/N=N/c1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H15N4O4P/c23-27(24-18-14-8-3-9-15-18,25-21-19-16-10-4-1-5-11-16)26-22-20-17-12-6-2-7-13-17/h1-15H/b21-19+,22-20+
InChIKeyGCHSGEMKXABBFI-FLFKKZLDSA-N
MW382.32 g/mol
LogP6.60
Rot. Bonds8

About phenyl bis(phenyldiazenyl) phosphate

phenyl bis(phenyldiazenyl) phosphate (PubChem CID 175035628) has the molecular formula C18H15N4O4P and a molecular weight of 382.32 g/mol. Its IUPAC name is phenyl bis(phenyldiazenyl) phosphate.

Molecular Properties

Compound Namephenyl bis(phenyldiazenyl) phosphate
PubChem CID175035628
Molecular FormulaC18H15N4O4P
Molecular Weight382.32 g/mol
Exact Mass382.08
IUPAC Namephenyl bis(phenyldiazenyl) phosphate
SMILESO=P(O/N=N/c1ccccc1)(O/N=N/c1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H15N4O4P/c23-27(24-18-14-8-3-9-15-18,25-21-19-16-10-4-1-5-11-16)26-22-20-17-12-6-2-7-13-17/h1-15H/b21-19+,22-20+
InChIKeyGCHSGEMKXABBFI-FLFKKZLDSA-N
XLogP6.60
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.32
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
(4-phenyldiazenylphenyl) dihydrogen phosphate
CID 21275212
diphenyl silyl phosphate
CID 71371486
tris(4-phenoxyphenyl) phosphate
CID 70576220
CID 175741196
CID 175741196
2-methylpropane;triphenyl phosphate
CID 91193965
phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene
CID 155046277
chloro diphenyl phosphate;hydrate
CID 70610879
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
CID 126496961

Frequently Asked Questions

What is the IUPAC name of phenyl bis(phenyldiazenyl) phosphate?
The IUPAC name of phenyl bis(phenyldiazenyl) phosphate (CID 175035628) is phenyl bis(phenyldiazenyl) phosphate.
What is the SMILES notation for phenyl bis(phenyldiazenyl) phosphate?
The canonical SMILES for phenyl bis(phenyldiazenyl) phosphate is O=P(O/N=N/c1ccccc1)(O/N=N/c1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl bis(phenyldiazenyl) phosphate?
The InChIKey is GCHSGEMKXABBFI-FLFKKZLDSA-N. The full InChI is InChI=1S/C18H15N4O4P/c23-27(24-18-14-8-3-9-15-18,25-21-19-16-10-4-1-5-11-16)26-22-20-17-12-6-2-7-13-17/h1-15H/b21-19+,22-20+.
What are the key properties of phenyl bis(phenyldiazenyl) phosphate?
phenyl bis(phenyldiazenyl) phosphate has a molecular weight of 382.32 g/mol, XLogP of 6.60, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl bis(phenyldiazenyl) phosphate is sourced from PubChem (CID 175035628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).