azanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

C185H120F3Ir3N25-10 — CID 158628547

IUPACazanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
SMILESCc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[NH2-].[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.c1ccc(-c2cnn[n-]2)nc1
InChIInChI=1S/6C27H17N2.C8H4F3N4.C8H7N4.C7H5N4.3Ir.H2N/c6*1-3-13-22-20(9-1)11-7-17-24(22)28-19-29(27-16-6-5-15-26(27)28)25-18-8-12-21-10-2-4-14-23(21)25;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-8-6(3-1)7-5-9-11-10-7;;;;/h6*1-17H;1-4H;2-5H,1H3;1-5H;;;;1H2/q9*-1;;;;-1
InChIKeyVEWCKABOOCLOTA-UHFFFAOYSA-N
MW3326.81 g/mol
LogP38.41
Rot. Bonds15

About azanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

azanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 158628547) has the molecular formula C185H120F3Ir3N25-10 and a molecular weight of 3326.81 g/mol. Its IUPAC name is azanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

Molecular Properties

Compound Nameazanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
PubChem CID158628547
Molecular FormulaC185H120F3Ir3N25-10
Molecular Weight3326.81 g/mol
Exact Mass3326.91
IUPAC Nameazanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
SMILESCc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[NH2-].[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.c1ccc(-c2cnn[n-]2)nc1
InChIInChI=1S/6C27H17N2.C8H4F3N4.C8H7N4.C7H5N4.3Ir.H2N/c6*1-3-13-22-20(9-1)11-7-17-24(22)28-19-29(27-16-6-5-15-26(27)28)25-18-8-12-21-10-2-4-14-23(21)25;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-8-6(3-1)7-5-9-11-10-7;;;;/h6*1-17H;1-4H;2-5H,1H3;1-5H;;;;1H2/q9*-1;;;;-1
InChIKeyVEWCKABOOCLOTA-UHFFFAOYSA-N
XLogP38.41
TPSA244.67 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003326.81
LogP ≤ 538.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze azanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of azanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The IUPAC name of azanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 158628547) is azanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.
What is the SMILES notation for azanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The canonical SMILES for azanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[NH2-].[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.[c-]1ccc2ccccc2c1-n1[c-][n+](-c2cccc3ccccc23)c2ccccc21.c1ccc(-c2cnn[n-]2)nc1.
What is the InChIKey of azanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The InChIKey is VEWCKABOOCLOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/6C27H17N2.C8H4F3N4.C8H7N4.C7H5N4.3Ir.H2N/c6*1-3-13-22-20(9-1)11-7-17-24(22)28-19-29(27-16-6-5-15-26(27)28)25-18-8-12-21-10-2-4-14-23(21)25;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-8-6(3-1)7-5-9-11-10-7;;;;/h6*1-17H;1-4H;2-5H,1H3;1-5H;;;;1H2/q9*-1;;;;-1.
What are the key properties of azanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
azanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine has a molecular weight of 3326.81 g/mol, XLogP of 38.41, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(1-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-yl-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is sourced from PubChem (CID 158628547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).