phenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene

C18H29N6O3P — CID 13354522

IUPACphenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene
SMILESc1ccc(/N=N/N=P(N2CCOCC2)(N2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C18H29N6O3P/c1-2-4-18(5-3-1)19-20-21-28(22-6-12-25-13-7-22,23-8-14-26-15-9-23)24-10-16-27-17-11-24/h1-5H,6-17H2/b20-19+
InChIKeyLCHRMFFUMSJXMK-FMQUCBEESA-N
MW408.44 g/mol
LogP2.63
Rot. Bonds5

About phenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene

phenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene (PubChem CID 13354522) has the molecular formula C18H29N6O3P and a molecular weight of 408.44 g/mol. Its IUPAC name is phenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene.

Molecular Properties

Compound Namephenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene
PubChem CID13354522
Molecular FormulaC18H29N6O3P
Molecular Weight408.44 g/mol
Exact Mass408.20
IUPAC Namephenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene
SMILESc1ccc(/N=N/N=P(N2CCOCC2)(N2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C18H29N6O3P/c1-2-4-18(5-3-1)19-20-21-28(22-6-12-25-13-7-22,23-8-14-26-15-9-23)24-10-16-27-17-11-24/h1-5H,6-17H2/b20-19+
InChIKeyLCHRMFFUMSJXMK-FMQUCBEESA-N
XLogP2.63
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

diphenyldiazene;hydrofluoride
CID 174857584
morpholin-4-yl-diphenyl-sulfanylidene-lambda5-phosphane
CID 10638162
phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene
CID 19011238
4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine
CID 13381631
N-phenylmorpholine-4-carboximidoyl chloride
CID 9361718
CID 146162313
CID 146162313
azepan-1-yl(phenyl)diazene
CID 15497245
(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
diphenyldiazene;1,4,8,11-tetrazacyclotetradecane
CID 18938641
N-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine
CID 13381643
(3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 88875102
4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride
CID 18576899

Frequently Asked Questions

What is the IUPAC name of phenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene?
The IUPAC name of phenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene (CID 13354522) is phenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene.
What is the SMILES notation for phenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene?
The canonical SMILES for phenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene is c1ccc(/N=N/N=P(N2CCOCC2)(N2CCOCC2)N2CCOCC2)cc1.
What is the InChIKey of phenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene?
The InChIKey is LCHRMFFUMSJXMK-FMQUCBEESA-N. The full InChI is InChI=1S/C18H29N6O3P/c1-2-4-18(5-3-1)19-20-21-28(22-6-12-25-13-7-22,23-8-14-26-15-9-23)24-10-16-27-17-11-24/h1-5H,6-17H2/b20-19+.
What are the key properties of phenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene?
phenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene has a molecular weight of 408.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene is sourced from PubChem (CID 13354522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).