benzene-1,2-diamine;bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);tris(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);2-phenylpyridine;pyridine-2,6-dicarboxylic acid;bis(trichloroiridium);tetrahydrate

C125H107Cl6Ir2N29O8 — CID 158082723

About benzene-1,2-diamine;bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);tris(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);2-phenylpyridine;pyridine-2,6-dicarboxylic acid;bis(trichloroiridium);tetrahydrate

benzene-1,2-diamine;bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);tris(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);2-phenylpyridine;pyridine-2,6-dicarboxylic acid;bis(trichloroiridium);tetrahydrate (PubChem CID 158082723) has the molecular formula C125H107Cl6Ir2N29O8 and a molecular weight of 2740.58 g/mol. Its IUPAC name is benzene-1,2-diamine;bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);tris(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);2-phenylpyridine;pyridine-2,6-dicarboxylic acid;bis(trichloroiridium);tetrahydrate.

Molecular Properties

• Compound Name: benzene-1,2-diamine;bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);tris(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);2-phenylpyridine;pyridine-2,6-dicarboxylic acid;bis(trichloroiridium);tetrahydrate
• PubChem CID: 158082723
• Molecular Formula: C125H107Cl6Ir2N29O8
• Molecular Weight: 2740.58 g/mol
• Exact Mass: 2737.62
• IUPAC Name: benzene-1,2-diamine;bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);tris(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);2-phenylpyridine;pyridine-2,6-dicarboxylic acid;bis(trichloroiridium);tetrahydrate
• SMILES: Cl[Ir](Cl)Cl.Cl[Ir](Cl)Cl.Cn1c(-c2cccc(-c3nc4ccccc4n3C)n2)nc2ccccc21.Cn1c(-c2cccc(-c3nc4ccccc4n3C)n2)nc2ccccc21.Cn1c(-c2cccc(-c3nc4ccccc4n3C)n2)nc2ccccc21.Nc1ccccc1N.O.O.O.O.O=C(O)c1cccc(C(=O)O)n1.c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1.c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1.c1ccc(-c2ccccn2)cc1
• InChI: InChI=1S/3C21H17N5.2C19H13N5.C11H9N.C7H5NO4.C6H8N2.6ClH.2Ir.4H2O/c3*1-25-18-12-5-3-8-14(18)23-20(25)16-10-7-11-17(22-16)21-24-15-9-4-6-13-19(15)26(21)2;2*1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;9-6(10)4-2-1-3-5(8-4)7(11)12;7-5-3-1-2-4-6(5)8;;;;;;;;;;;;/h3*3-13H,1-2H3;2*1-11H,(H,21,22)(H,23,24);1-9H;1-3H,(H,9,10)(H,11,12);1-4H,7-8H2;6*1H;;;4*1H2/q;;;;;;;;;;;;;;2*+3;;;;/p-6
• InChIKey: FNDNGDCWLGKCCN-UHFFFAOYSA-H
• XLogP: 25.81
• TPSA: 564.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2740.58
LogP ≤ 5	25.81
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);tris(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);2-phenylpyridine;pyridine-2,6-dicarboxylic acid;bis(trichloroiridium);tetrahydrate?

The IUPAC name of benzene-1,2-diamine;bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);tris(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);2-phenylpyridine;pyridine-2,6-dicarboxylic acid;bis(trichloroiridium);tetrahydrate (CID 158082723) is benzene-1,2-diamine;bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);tris(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);2-phenylpyridine;pyridine-2,6-dicarboxylic acid;bis(trichloroiridium);tetrahydrate.

What is the SMILES notation for benzene-1,2-diamine;bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);tris(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);2-phenylpyridine;pyridine-2,6-dicarboxylic acid;bis(trichloroiridium);tetrahydrate?

The canonical SMILES for benzene-1,2-diamine;bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);tris(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);2-phenylpyridine;pyridine-2,6-dicarboxylic acid;bis(trichloroiridium);tetrahydrate is Cl[Ir](Cl)Cl.Cl[Ir](Cl)Cl.Cn1c(-c2cccc(-c3nc4ccccc4n3C)n2)nc2ccccc21.Cn1c(-c2cccc(-c3nc4ccccc4n3C)n2)nc2ccccc21.Cn1c(-c2cccc(-c3nc4ccccc4n3C)n2)nc2ccccc21.Nc1ccccc1N.O.O.O.O.O=C(O)c1cccc(C(=O)O)n1.c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1.c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1.c1ccc(-c2ccccn2)cc1.

What is the InChIKey of benzene-1,2-diamine;bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);tris(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);2-phenylpyridine;pyridine-2,6-dicarboxylic acid;bis(trichloroiridium);tetrahydrate?

The InChIKey is FNDNGDCWLGKCCN-UHFFFAOYSA-H. The full InChI is InChI=1S/3C21H17N5.2C19H13N5.C11H9N.C7H5NO4.C6H8N2.6ClH.2Ir.4H2O/c3*1-25-18-12-5-3-8-14(18)23-20(25)16-10-7-11-17(22-16)21-24-15-9-4-6-13-19(15)26(21)2;2*1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;9-6(10)4-2-1-3-5(8-4)7(11)12;7-5-3-1-2-4-6(5)8;;;;;;;;;;;;/h3*3-13H,1-2H3;2*1-11H,(H,21,22)(H,23,24);1-9H;1-3H,(H,9,10)(H,11,12);1-4H,7-8H2;6*1H;;;4*1H2/q;;;;;;;;;;;;;;2*+3;;;;/p-6.

What are the key properties of benzene-1,2-diamine;bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);tris(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);2-phenylpyridine;pyridine-2,6-dicarboxylic acid;bis(trichloroiridium);tetrahydrate?

benzene-1,2-diamine;bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);tris(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);2-phenylpyridine;pyridine-2,6-dicarboxylic acid;bis(trichloroiridium);tetrahydrate has a molecular weight of 2740.58 g/mol, XLogP of 25.81, 13 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for benzene-1,2-diamine;bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);tris(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);2-phenylpyridine;pyridine-2,6-dicarboxylic acid;bis(trichloroiridium);tetrahydrate is sourced from PubChem (CID 158082723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).