dodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate

C180H192F24Ir4N36P4-16 — CID 139115553

IUPACdodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate
SMILESCN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/12C15H16N3.4F6P.4Ir/c12*1-18(2)15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14;4*1-7(2,3,4,5)6;;;;/h12*3-12H,1-2H3;;;;;;;;/q16*-1;;;;
InChIKeyAGCVIPANYIPLJD-UHFFFAOYSA-N
MW4208.48 g/mol
LogP60.81
Rot. Bonds24

About dodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate

dodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate (PubChem CID 139115553) has the molecular formula C180H192F24Ir4N36P4-16 and a molecular weight of 4208.48 g/mol. Its IUPAC name is dodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate.

Molecular Properties

Compound Namedodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate
PubChem CID139115553
Molecular FormulaC180H192F24Ir4N36P4-16
Molecular Weight4208.48 g/mol
Exact Mass4209.33
IUPAC Namedodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate
SMILESCN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/12C15H16N3.4F6P.4Ir/c12*1-18(2)15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14;4*1-7(2,3,4,5)6;;;;/h12*3-12H,1-2H3;;;;;;;;/q16*-1;;;;
InChIKeyAGCVIPANYIPLJD-UHFFFAOYSA-N
XLogP60.81
TPSA356.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004208.48
LogP ≤ 560.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+)
CID 139129664
2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
N,N-dimethyl-N',2-diphenylethanimidamide
CID 525868
(1Z,5Z)-cycloocta-1,5-diene;[N,N-diethyl-N'-(4-methylphenyl)carbamimidoyl]-(4-methylphenyl)azanide;iridium
CID 139139173
N,N-dimethyl-2-phenyl-2-phenyliminoacetamide
CID 11736863
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144
CID 13239389
CID 13239389
bis([(E)-3-chloro-4-phenyliminopent-2-en-2-yl]-phenylazanide);bis(palladium(2+));diacetate
CID 139102637
gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride
CID 122211060
1-(2,2-dimethylpropyl)-1-methyl-2-phenylguanidine
CID 62361429
1-(4-fluorophenyl)-1-methyl-2-phenylguanidine
CID 62362300
(C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+)
CID 6915725

Frequently Asked Questions

What is the IUPAC name of dodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate?
The IUPAC name of dodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate (CID 139115553) is dodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate.
What is the SMILES notation for dodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate?
The canonical SMILES for dodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate is CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.CN(C)/C(=N\c1ccccc1)[N-]c1ccccc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of dodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate?
The InChIKey is AGCVIPANYIPLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/12C15H16N3.4F6P.4Ir/c12*1-18(2)15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14;4*1-7(2,3,4,5)6;;;;/h12*3-12H,1-2H3;;;;;;;;/q16*-1;;;;.
What are the key properties of dodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate?
dodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate has a molecular weight of 4208.48 g/mol, XLogP of 60.81, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate is sourced from PubChem (CID 139115553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).