6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine

C18H14NO3P — CID 122401637

IUPAC6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine
SMILES[O-][P+]1(Nc2ccccc2)Oc2ccccc2-c2ccccc2O1
InChIInChI=1S/C18H14NO3P/c20-23(19-14-8-2-1-3-9-14)21-17-12-6-4-10-15(17)16-11-5-7-13-18(16)22-23/h1-13H,(H,19,20)
InChIKeyNMWZNQJWOYTXSS-UHFFFAOYSA-N
MW323.29 g/mol
LogP4.27
Rot. Bonds2

About 6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine

6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine (PubChem CID 122401637) has the molecular formula C18H14NO3P and a molecular weight of 323.29 g/mol. Its IUPAC name is 6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine.

Molecular Properties

Compound Name6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine
PubChem CID122401637
Molecular FormulaC18H14NO3P
Molecular Weight323.29 g/mol
Exact Mass323.07
IUPAC Name6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine
SMILES[O-][P+]1(Nc2ccccc2)Oc2ccccc2-c2ccccc2O1
InChIInChI=1S/C18H14NO3P/c20-23(19-14-8-2-1-3-9-14)21-17-12-6-4-10-15(17)16-11-5-7-13-18(16)22-23/h1-13H,(H,19,20)
InChIKeyNMWZNQJWOYTXSS-UHFFFAOYSA-N
XLogP4.27
TPSA53.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine with MolForge

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Related Compounds

14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 139199451
3-oxo-N-phenyl-1-benzofuran-2-carboxamide
CID 14294430
(6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane
CID 137328396
(1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide
CID 92849740
6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium
CID 71170000
spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium]
CID 102464447
CID 11182584
CID 11182584
(E)-N,N'-diphenylbut-2-ene-1,4-diamine
CID 101288969
2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium
CID 101355568
2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide
CID 57126408
8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene
CID 174046531
9H-xanthen-9-ylazanium
CID 51652356

Frequently Asked Questions

What is the IUPAC name of 6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine?
The IUPAC name of 6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine (CID 122401637) is 6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine.
What is the SMILES notation for 6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine?
The canonical SMILES for 6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine is [O-][P+]1(Nc2ccccc2)Oc2ccccc2-c2ccccc2O1.
What is the InChIKey of 6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine?
The InChIKey is NMWZNQJWOYTXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14NO3P/c20-23(19-14-8-2-1-3-9-14)21-17-12-6-4-10-15(17)16-11-5-7-13-18(16)22-23/h1-13H,(H,19,20).
What are the key properties of 6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine?
6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine has a molecular weight of 323.29 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine is sourced from PubChem (CID 122401637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).