bis(phenyl-(trianilino-λ5-phosphanylidene)azanium) dichloride

C48H48Cl2N8P2 — CID 139155650

IUPACbis(phenyl-(trianilino-λ5-phosphanylidene)azanium) dichloride
SMILES[Cl-].[Cl-].c1ccc(NP(Nc2ccccc2)(Nc2ccccc2)=[NH+]c2ccccc2)cc1.c1ccc(NP(Nc2ccccc2)(Nc2ccccc2)=[NH+]c2ccccc2)cc1
InChIInChI=1S/2C24H23N4P.2ClH/c2*1-5-13-21(14-6-1)25-29(26-22-15-7-2-8-16-22,27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24;;/h2*1-20H,(H3,25,26,27,28);2*1H
InChIKeyVCBUYVOUTOZQDP-UHFFFAOYSA-N
MW869.82 g/mol
LogP5.37
Rot. Bonds14

About bis(phenyl-(trianilino-λ5-phosphanylidene)azanium) dichloride

bis(phenyl-(trianilino-λ5-phosphanylidene)azanium) dichloride (PubChem CID 139155650) has the molecular formula C48H48Cl2N8P2 and a molecular weight of 869.82 g/mol. Its IUPAC name is bis(phenyl-(trianilino-λ5-phosphanylidene)azanium) dichloride.

Molecular Properties

Compound Namebis(phenyl-(trianilino-λ5-phosphanylidene)azanium) dichloride
PubChem CID139155650
Molecular FormulaC48H48Cl2N8P2
Molecular Weight869.82 g/mol
Exact Mass868.29
IUPAC Namebis(phenyl-(trianilino-λ5-phosphanylidene)azanium) dichloride
SMILES[Cl-].[Cl-].c1ccc(NP(Nc2ccccc2)(Nc2ccccc2)=[NH+]c2ccccc2)cc1.c1ccc(NP(Nc2ccccc2)(Nc2ccccc2)=[NH+]c2ccccc2)cc1
InChIInChI=1S/2C24H23N4P.2ClH/c2*1-5-13-21(14-6-1)25-29(26-22-15-7-2-8-16-22,27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24;;/h2*1-20H,(H3,25,26,27,28);2*1H
InChIKeyVCBUYVOUTOZQDP-UHFFFAOYSA-N
XLogP5.37
TPSA100.12 Ų
H-Bond Donors8
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500869.82
LogP ≤ 55.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-[anilino(diethylamino)phosphoryl]aniline
CID 17186015
CID 157283458
CID 157283458
[(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride
CID 14228408
N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline
CID 139073368
potassium;hydride;N-methylaniline
CID 174147350
magnesium;N-methylaniline;bromide
CID 173157225
1-phenyl-2-[4-(2-phenylhydrazinyl)phenyl]hydrazine
CID 169215100
azane;N-phenylaniline
CID 67074378
1,2-diphenylhydrazine;hydrobromide
CID 162337860
N-methylaniline;piperazine
CID 157393585
1-dimethoxyphosphoryl-2-phenylhydrazine
CID 117066683
magnesium;hydride;N-methylaniline;hydrobromide
CID 173230530

Frequently Asked Questions

What is the IUPAC name of bis(phenyl-(trianilino-λ5-phosphanylidene)azanium) dichloride?
The IUPAC name of bis(phenyl-(trianilino-λ5-phosphanylidene)azanium) dichloride (CID 139155650) is bis(phenyl-(trianilino-λ5-phosphanylidene)azanium) dichloride.
What is the SMILES notation for bis(phenyl-(trianilino-λ5-phosphanylidene)azanium) dichloride?
The canonical SMILES for bis(phenyl-(trianilino-λ5-phosphanylidene)azanium) dichloride is [Cl-].[Cl-].c1ccc(NP(Nc2ccccc2)(Nc2ccccc2)=[NH+]c2ccccc2)cc1.c1ccc(NP(Nc2ccccc2)(Nc2ccccc2)=[NH+]c2ccccc2)cc1.
What is the InChIKey of bis(phenyl-(trianilino-λ5-phosphanylidene)azanium) dichloride?
The InChIKey is VCBUYVOUTOZQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H23N4P.2ClH/c2*1-5-13-21(14-6-1)25-29(26-22-15-7-2-8-16-22,27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24;;/h2*1-20H,(H3,25,26,27,28);2*1H.
What are the key properties of bis(phenyl-(trianilino-λ5-phosphanylidene)azanium) dichloride?
bis(phenyl-(trianilino-λ5-phosphanylidene)azanium) dichloride has a molecular weight of 869.82 g/mol, XLogP of 5.37, 14 rotatable bonds, 8 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenyl-(trianilino-λ5-phosphanylidene)azanium) dichloride is sourced from PubChem (CID 139155650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).