2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol)

C85H106Ir4N8O12 — CID 160612855

IUPAC2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol)
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.COc1ccc2nc(-c3cc(C)ccn3)ccc2c1.COc1ccc2nc(-c3ccc(C)c(C)n3)ccc2c1.COc1ccc2nc(-c3ccc(C)cn3)ccc2c1.COc1ccc2nc(-c3ncccc3C)ccc2c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C17H16N2O.3C16H14N2O.4C5H12O2.4Ir/c1-11-4-7-16(18-12(11)2)17-8-5-13-10-14(20-3)6-9-15(13)19-17;1-11-3-6-15(17-10-11)16-7-4-12-9-13(19-2)5-8-14(12)18-16;1-11-7-8-17-16(9-11)15-5-3-12-10-13(19-2)4-6-14(12)18-15;1-11-4-3-9-17-16(11)15-7-5-12-10-13(19-2)6-8-14(12)18-15;4*1-4(6)3-5(2)7;;;;/h4-10H,1-3H3;3*3-10H,1-2H3;4*4-7H,3H2,1-2H3;;;;
InChIKeyULOVPTMVNJDSQY-UHFFFAOYSA-N
MW2200.69 g/mol
LogP15.31
Rot. Bonds16

About 2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol)

2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol) (PubChem CID 160612855) has the molecular formula C85H106Ir4N8O12 and a molecular weight of 2200.69 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol).

Molecular Properties

Compound Name2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol)
PubChem CID160612855
Molecular FormulaC85H106Ir4N8O12
Molecular Weight2200.69 g/mol
Exact Mass2202.64
IUPAC Name2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol)
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.COc1ccc2nc(-c3cc(C)ccn3)ccc2c1.COc1ccc2nc(-c3ccc(C)c(C)n3)ccc2c1.COc1ccc2nc(-c3ccc(C)cn3)ccc2c1.COc1ccc2nc(-c3ncccc3C)ccc2c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C17H16N2O.3C16H14N2O.4C5H12O2.4Ir/c1-11-4-7-16(18-12(11)2)17-8-5-13-10-14(20-3)6-9-15(13)19-17;1-11-3-6-15(17-10-11)16-7-4-12-9-13(19-2)5-8-14(12)18-16;1-11-7-8-17-16(9-11)15-5-3-12-10-13(19-2)4-6-14(12)18-15;1-11-4-3-9-17-16(11)15-7-5-12-10-13(19-2)6-8-14(12)18-15;4*1-4(6)3-5(2)7;;;;/h4-10H,1-3H3;3*3-10H,1-2H3;4*4-7H,3H2,1-2H3;;;;
InChIKeyULOVPTMVNJDSQY-UHFFFAOYSA-N
XLogP15.31
TPSA301.88 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002200.69
LogP ≤ 515.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol)?
The IUPAC name of 2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol) (CID 160612855) is 2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol).
What is the SMILES notation for 2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol)?
The canonical SMILES for 2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol) is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.COc1ccc2nc(-c3cc(C)ccn3)ccc2c1.COc1ccc2nc(-c3ccc(C)c(C)n3)ccc2c1.COc1ccc2nc(-c3ccc(C)cn3)ccc2c1.COc1ccc2nc(-c3ncccc3C)ccc2c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol)?
The InChIKey is ULOVPTMVNJDSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O.3C16H14N2O.4C5H12O2.4Ir/c1-11-4-7-16(18-12(11)2)17-8-5-13-10-14(20-3)6-9-15(13)19-17;1-11-3-6-15(17-10-11)16-7-4-12-9-13(19-2)5-8-14(12)18-16;1-11-7-8-17-16(9-11)15-5-3-12-10-13(19-2)4-6-14(12)18-15;1-11-4-3-9-17-16(11)15-7-5-12-10-13(19-2)6-8-14(12)18-15;4*1-4(6)3-5(2)7;;;;/h4-10H,1-3H3;3*3-10H,1-2H3;4*4-7H,3H2,1-2H3;;;;.
What are the key properties of 2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol)?
2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol) has a molecular weight of 2200.69 g/mol, XLogP of 15.31, 16 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol) is sourced from PubChem (CID 160612855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).