3-(3,7-dihydro-2H-1,4-benzodioxin-7-id-6-yl)-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;bis(1,6-dimethyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide);3-ethyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide

C78H71Ir5N15O2-10 — CID 157302683

About 3-(3,7-dihydro-2H-1,4-benzodioxin-7-id-6-yl)-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;bis(1,6-dimethyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide);3-ethyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide

3-(3,7-dihydro-2H-1,4-benzodioxin-7-id-6-yl)-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;bis(1,6-dimethyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide);3-ethyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide (PubChem CID 157302683) has the molecular formula C78H71Ir5N15O2-10 and a molecular weight of 2211.61 g/mol. Its IUPAC name is 3-(3,7-dihydro-2H-1,4-benzodioxin-7-id-6-yl)-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;bis(1,6-dimethyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide);3-ethyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide.

Molecular Properties

• Compound Name: 3-(3,7-dihydro-2H-1,4-benzodioxin-7-id-6-yl)-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;bis(1,6-dimethyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide);3-ethyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide
• PubChem CID: 157302683
• Molecular Formula: C78H71Ir5N15O2-10
• Molecular Weight: 2211.61 g/mol
• Exact Mass: 2214.41
• IUPAC Name: 3-(3,7-dihydro-2H-1,4-benzodioxin-7-id-6-yl)-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;bis(1,6-dimethyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide);3-ethyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide
• SMILES: CCN1[CH-]N(c2[c-]cccc2)c2cccnc21.CN1[CH-]N(c2[c-]cc3c(c2)OCCO3)c2ncccc21.CN1[CH-]N(c2[c-]ccc(-c3ccccc3)c2)c2ncccc21.Cc1cc[c-]c(N2[CH-]N(C)c3cc(C)cnc32)c1.Cc1cc[c-]c(N2[CH-]N(C)c3cc(C)cnc32)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C19H15N3.C15H13N3O2.2C15H15N3.C14H13N3.5Ir/c1-21-14-22(19-18(21)11-6-12-20-19)17-10-5-9-16(13-17)15-7-3-2-4-8-15;1-17-10-18(15-12(17)3-2-6-16-15)11-4-5-13-14(9-11)20-8-7-19-13;2*1-11-5-4-6-13(7-11)18-10-17(3)14-8-12(2)9-16-15(14)18;1-2-16-11-17(12-7-4-3-5-8-12)13-9-6-10-15-14(13)16;;;;;/h2-9,11-14H,1H3;2-3,5-6,9-10H,7-8H2,1H3;2*4-5,7-10H,1-3H3;3-7,9-11H,2H2,1H3;;;;;/q5*-2
• InChIKey: OTWPTRGICWYNOS-UHFFFAOYSA-N
• XLogP: 15.99
• TPSA: 115.31 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2211.61
LogP ≤ 5	15.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3,7-dihydro-2H-1,4-benzodioxin-7-id-6-yl)-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;bis(1,6-dimethyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide);3-ethyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide?

The IUPAC name of 3-(3,7-dihydro-2H-1,4-benzodioxin-7-id-6-yl)-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;bis(1,6-dimethyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide);3-ethyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide (CID 157302683) is 3-(3,7-dihydro-2H-1,4-benzodioxin-7-id-6-yl)-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;bis(1,6-dimethyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide);3-ethyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide.

What is the SMILES notation for 3-(3,7-dihydro-2H-1,4-benzodioxin-7-id-6-yl)-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;bis(1,6-dimethyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide);3-ethyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide?

The canonical SMILES for 3-(3,7-dihydro-2H-1,4-benzodioxin-7-id-6-yl)-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;bis(1,6-dimethyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide);3-ethyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide is CCN1[CH-]N(c2[c-]cccc2)c2cccnc21.CN1[CH-]N(c2[c-]cc3c(c2)OCCO3)c2ncccc21.CN1[CH-]N(c2[c-]ccc(-c3ccccc3)c2)c2ncccc21.Cc1cc[c-]c(N2[CH-]N(C)c3cc(C)cnc32)c1.Cc1cc[c-]c(N2[CH-]N(C)c3cc(C)cnc32)c1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 3-(3,7-dihydro-2H-1,4-benzodioxin-7-id-6-yl)-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;bis(1,6-dimethyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide);3-ethyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide?

The InChIKey is OTWPTRGICWYNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3.C15H13N3O2.2C15H15N3.C14H13N3.5Ir/c1-21-14-22(19-18(21)11-6-12-20-19)17-10-5-9-16(13-17)15-7-3-2-4-8-15;1-17-10-18(15-12(17)3-2-6-16-15)11-4-5-13-14(9-11)20-8-7-19-13;2*1-11-5-4-6-13(7-11)18-10-17(3)14-8-12(2)9-16-15(14)18;1-2-16-11-17(12-7-4-3-5-8-12)13-9-6-10-15-14(13)16;;;;;/h2-9,11-14H,1H3;2-3,5-6,9-10H,7-8H2,1H3;2*4-5,7-10H,1-3H3;3-7,9-11H,2H2,1H3;;;;;/q5*-2;;;;;.

What are the key properties of 3-(3,7-dihydro-2H-1,4-benzodioxin-7-id-6-yl)-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;bis(1,6-dimethyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide);3-ethyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide?

3-(3,7-dihydro-2H-1,4-benzodioxin-7-id-6-yl)-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;bis(1,6-dimethyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide);3-ethyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide has a molecular weight of 2211.61 g/mol, XLogP of 15.99, 7 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,7-dihydro-2H-1,4-benzodioxin-7-id-6-yl)-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;bis(1,6-dimethyl-3-(3-methylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide);3-ethyl-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyridin-2-ide is sourced from PubChem (CID 157302683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).