iridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine

C23H18IrN4O-2 — CID 58107086

IUPACiridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine
SMILES[Ir].[c-]1ccccc1Oc1cccc(CNCc2cccc(-c3[c-]ccnc3)n2)n1
InChIInChI=1S/C23H18N4O.Ir/c1-2-10-21(11-3-1)28-23-13-5-9-20(27-23)17-25-16-19-8-4-12-22(26-19)18-7-6-14-24-15-18;/h1-6,8-10,12-15,25H,16-17H2;/q-2;
InChIKeyIMEYSCMRPSIJGI-UHFFFAOYSA-N
MW558.64 g/mol
LogP4.22
Rot. Bonds7

About iridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine

iridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine (PubChem CID 58107086) has the molecular formula C23H18IrN4O-2 and a molecular weight of 558.64 g/mol. Its IUPAC name is iridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Nameiridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine
PubChem CID58107086
Molecular FormulaC23H18IrN4O-2
Molecular Weight558.64 g/mol
Exact Mass559.11
IUPAC Nameiridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine
SMILES[Ir].[c-]1ccccc1Oc1cccc(CNCc2cccc(-c3[c-]ccnc3)n2)n1
InChIInChI=1S/C23H18N4O.Ir/c1-2-10-21(11-3-1)28-23-13-5-9-20(27-23)17-25-16-19-8-4-12-22(26-19)18-7-6-14-24-15-18;/h1-6,8-10,12-15,25H,16-17H2;/q-2;
InChIKeyIMEYSCMRPSIJGI-UHFFFAOYSA-N
XLogP4.22
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.64
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze iridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine with MolForge

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Related Compounds

2-(1-methyl-5H-pyrazol-5-id-4-yl)-6-[[6-(1-methyl-5H-pyrazol-5-id-4-yl)-2-pyridinyl]oxy]pyridine;platinum(2+)
CID 57589548
CID 57936973
CID 57936973
iridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine
CID 58106765
iridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine
CID 58106780
N-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+)
CID 58106856
Iridium;[6-(phenoxy)-2-pyridinyl]methanamine
CID 58107020
2-(2-Phenylpropan-2-yl)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)oxypyridine;platinum(2+)
CID 58709059
2-(Phenoxy)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;platinum(2+)
CID 58870978
2-Phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridine;platinum(2+)
CID 58871015
2-(3-Phenylbenzene-2-id-1-yl)-6-pyridin-2-yloxypyridine;platinum(2+)
CID 58871047
2-(Phenoxy)-6-(6-phenyl-2-pyridinyl)pyridine;platinum(2+)
CID 58871072
Platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]oxypyridine
CID 58871074

Frequently Asked Questions

What is the IUPAC name of iridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine?
The IUPAC name of iridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine (CID 58107086) is iridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for iridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine?
The canonical SMILES for iridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine is [Ir].[c-]1ccccc1Oc1cccc(CNCc2cccc(-c3[c-]ccnc3)n2)n1.
What is the InChIKey of iridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine?
The InChIKey is IMEYSCMRPSIJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O.Ir/c1-2-10-21(11-3-1)28-23-13-5-9-20(27-23)17-25-16-19-8-4-12-22(26-19)18-7-6-14-24-15-18;/h1-6,8-10,12-15,25H,16-17H2;/q-2;.
What are the key properties of iridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine?
iridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine has a molecular weight of 558.64 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;N-[[6-(phenoxy)-2-pyridinyl]methyl]-1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 58107086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).