2-(cyclohexyloxymethyl)-6-(phenylmethyl)pyridine;bis(iridium);bis(2-(methoxymethyl)-6-(phenylmethyl)pyridine);2-(phenoxymethyl)-6-(phenylmethyl)pyridine;bis(rhodium)

C66H66Ir2N4O4Rh2-4 — CID 158455303

IUPAC2-(cyclohexyloxymethyl)-6-(phenylmethyl)pyridine;bis(iridium);bis(2-(methoxymethyl)-6-(phenylmethyl)pyridine);2-(phenoxymethyl)-6-(phenylmethyl)pyridine;bis(rhodium)
SMILESCOCc1cccc(Cc2[c-]cccc2)n1.COCc1cccc(Cc2[c-]cccc2)n1.[Ir].[Ir].[Rh].[Rh].[c-]1ccccc1Cc1cccc(COC2CCCCC2)n1.[c-]1ccccc1Cc1cccc(COc2ccccc2)n1
InChIInChI=1S/C19H22NO.C19H16NO.2C14H14NO.2Ir.2Rh/c2*1-3-8-16(9-4-1)14-17-10-7-11-18(20-17)15-21-19-12-5-2-6-13-19;2*1-16-11-14-9-5-8-13(15-14)10-12-6-3-2-4-7-12;;;;/h1,3-4,7-8,10-11,19H,2,5-6,12-15H2;1-8,10-13H,14-15H2;2*2-6,8-9H,10-11H2,1H3;;;;/q4*-1;;;;
InChIKeyJAGMOTQJOWVKHH-UHFFFAOYSA-N
MW1569.52 g/mol
LogP13.60
Rot. Bonds18

About 2-(cyclohexyloxymethyl)-6-(phenylmethyl)pyridine;bis(iridium);bis(2-(methoxymethyl)-6-(phenylmethyl)pyridine);2-(phenoxymethyl)-6-(phenylmethyl)pyridine;bis(rhodium)

2-(cyclohexyloxymethyl)-6-(phenylmethyl)pyridine;bis(iridium);bis(2-(methoxymethyl)-6-(phenylmethyl)pyridine);2-(phenoxymethyl)-6-(phenylmethyl)pyridine;bis(rhodium) (PubChem CID 158455303) has the molecular formula C66H66Ir2N4O4Rh2-4 and a molecular weight of 1569.52 g/mol. Its IUPAC name is 2-(cyclohexyloxymethyl)-6-(phenylmethyl)pyridine;bis(iridium);bis(2-(methoxymethyl)-6-(phenylmethyl)pyridine);2-(phenoxymethyl)-6-(phenylmethyl)pyridine;bis(rhodium).

Molecular Properties

Compound Name2-(cyclohexyloxymethyl)-6-(phenylmethyl)pyridine;bis(iridium);bis(2-(methoxymethyl)-6-(phenylmethyl)pyridine);2-(phenoxymethyl)-6-(phenylmethyl)pyridine;bis(rhodium)
PubChem CID158455303
Molecular FormulaC66H66Ir2N4O4Rh2-4
Molecular Weight1569.52 g/mol
Exact Mass1570.25
IUPAC Name2-(cyclohexyloxymethyl)-6-(phenylmethyl)pyridine;bis(iridium);bis(2-(methoxymethyl)-6-(phenylmethyl)pyridine);2-(phenoxymethyl)-6-(phenylmethyl)pyridine;bis(rhodium)
SMILESCOCc1cccc(Cc2[c-]cccc2)n1.COCc1cccc(Cc2[c-]cccc2)n1.[Ir].[Ir].[Rh].[Rh].[c-]1ccccc1Cc1cccc(COC2CCCCC2)n1.[c-]1ccccc1Cc1cccc(COc2ccccc2)n1
InChIInChI=1S/C19H22NO.C19H16NO.2C14H14NO.2Ir.2Rh/c2*1-3-8-16(9-4-1)14-17-10-7-11-18(20-17)15-21-19-12-5-2-6-13-19;2*1-16-11-14-9-5-8-13(15-14)10-12-6-3-2-4-7-12;;;;/h1,3-4,7-8,10-11,19H,2,5-6,12-15H2;1-8,10-13H,14-15H2;2*2-6,8-9H,10-11H2,1H3;;;;/q4*-1;;;;
InChIKeyJAGMOTQJOWVKHH-UHFFFAOYSA-N
XLogP13.60
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001569.52
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexyloxymethyl)-6-(phenylmethyl)pyridine;bis(iridium);bis(2-(methoxymethyl)-6-(phenylmethyl)pyridine);2-(phenoxymethyl)-6-(phenylmethyl)pyridine;bis(rhodium)?
The IUPAC name of 2-(cyclohexyloxymethyl)-6-(phenylmethyl)pyridine;bis(iridium);bis(2-(methoxymethyl)-6-(phenylmethyl)pyridine);2-(phenoxymethyl)-6-(phenylmethyl)pyridine;bis(rhodium) (CID 158455303) is 2-(cyclohexyloxymethyl)-6-(phenylmethyl)pyridine;bis(iridium);bis(2-(methoxymethyl)-6-(phenylmethyl)pyridine);2-(phenoxymethyl)-6-(phenylmethyl)pyridine;bis(rhodium).
What is the SMILES notation for 2-(cyclohexyloxymethyl)-6-(phenylmethyl)pyridine;bis(iridium);bis(2-(methoxymethyl)-6-(phenylmethyl)pyridine);2-(phenoxymethyl)-6-(phenylmethyl)pyridine;bis(rhodium)?
The canonical SMILES for 2-(cyclohexyloxymethyl)-6-(phenylmethyl)pyridine;bis(iridium);bis(2-(methoxymethyl)-6-(phenylmethyl)pyridine);2-(phenoxymethyl)-6-(phenylmethyl)pyridine;bis(rhodium) is COCc1cccc(Cc2[c-]cccc2)n1.COCc1cccc(Cc2[c-]cccc2)n1.[Ir].[Ir].[Rh].[Rh].[c-]1ccccc1Cc1cccc(COC2CCCCC2)n1.[c-]1ccccc1Cc1cccc(COc2ccccc2)n1.
What is the InChIKey of 2-(cyclohexyloxymethyl)-6-(phenylmethyl)pyridine;bis(iridium);bis(2-(methoxymethyl)-6-(phenylmethyl)pyridine);2-(phenoxymethyl)-6-(phenylmethyl)pyridine;bis(rhodium)?
The InChIKey is JAGMOTQJOWVKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NO.C19H16NO.2C14H14NO.2Ir.2Rh/c2*1-3-8-16(9-4-1)14-17-10-7-11-18(20-17)15-21-19-12-5-2-6-13-19;2*1-16-11-14-9-5-8-13(15-14)10-12-6-3-2-4-7-12;;;;/h1,3-4,7-8,10-11,19H,2,5-6,12-15H2;1-8,10-13H,14-15H2;2*2-6,8-9H,10-11H2,1H3;;;;/q4*-1;;;;.
What are the key properties of 2-(cyclohexyloxymethyl)-6-(phenylmethyl)pyridine;bis(iridium);bis(2-(methoxymethyl)-6-(phenylmethyl)pyridine);2-(phenoxymethyl)-6-(phenylmethyl)pyridine;bis(rhodium)?
2-(cyclohexyloxymethyl)-6-(phenylmethyl)pyridine;bis(iridium);bis(2-(methoxymethyl)-6-(phenylmethyl)pyridine);2-(phenoxymethyl)-6-(phenylmethyl)pyridine;bis(rhodium) has a molecular weight of 1569.52 g/mol, XLogP of 13.60, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexyloxymethyl)-6-(phenylmethyl)pyridine;bis(iridium);bis(2-(methoxymethyl)-6-(phenylmethyl)pyridine);2-(phenoxymethyl)-6-(phenylmethyl)pyridine;bis(rhodium) is sourced from PubChem (CID 158455303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).