cobalt;bis(cobalt(2+));4-[3-[2-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-5-methylpyrido[2,3-b]quinoxalin-10-yl]benzene-2-id-1-yl]-1,3-benzothiazole;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydropyrido[2,3-b][1]benzazepine;6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]thieno[3,2-d][1,3]thiazole;10-(6-pyridin-2-yl-2-pyridinyl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide

C126H84Co4N22S4 — CID 157187932

About cobalt;bis(cobalt(2+));4-[3-[2-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-5-methylpyrido[2,3-b]quinoxalin-10-yl]benzene-2-id-1-yl]-1,3-benzothiazole;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydropyrido[2,3-b][1]benzazepine;6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]thieno[3,2-d][1,3]thiazole;10-(6-pyridin-2-yl-2-pyridinyl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide

cobalt;bis(cobalt(2+));4-[3-[2-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-5-methylpyrido[2,3-b]quinoxalin-10-yl]benzene-2-id-1-yl]-1,3-benzothiazole;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydropyrido[2,3-b][1]benzazepine;6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]thieno[3,2-d][1,3]thiazole;10-(6-pyridin-2-yl-2-pyridinyl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide (PubChem CID 157187932) has the molecular formula C126H84Co4N22S4 and a molecular weight of 2270.21 g/mol. Its IUPAC name is cobalt;bis(cobalt(2+));4-[3-[2-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-5-methylpyrido[2,3-b]quinoxalin-10-yl]benzene-2-id-1-yl]-1,3-benzothiazole;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydropyrido[2,3-b][1]benzazepine;6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]thieno[3,2-d][1,3]thiazole;10-(6-pyridin-2-yl-2-pyridinyl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide.

Molecular Properties

• Compound Name: cobalt;bis(cobalt(2+));4-[3-[2-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-5-methylpyrido[2,3-b]quinoxalin-10-yl]benzene-2-id-1-yl]-1,3-benzothiazole;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydropyrido[2,3-b][1]benzazepine;6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]thieno[3,2-d][1,3]thiazole;10-(6-pyridin-2-yl-2-pyridinyl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide
• PubChem CID: 157187932
• Molecular Formula: C126H84Co4N22S4
• Molecular Weight: 2270.21 g/mol
• Exact Mass: 2268.35
• IUPAC Name: cobalt;bis(cobalt(2+));4-[3-[2-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-5-methylpyrido[2,3-b]quinoxalin-10-yl]benzene-2-id-1-yl]-1,3-benzothiazole;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydropyrido[2,3-b][1]benzazepine;6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]thieno[3,2-d][1,3]thiazole;10-(6-pyridin-2-yl-2-pyridinyl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide
• SMILES: CN1c2ccccc2N(c2[c-]c(-c3cccc4scnc34)ccc2)c2nc(-c3cn(C)c4c3[n-]c[n+]4C)ccc21.C[n+]1c[n-]c2c(-c3ccc4c(n3)N(c3[c-]c(-n5c6ccccc6c6cccnc65)ccc3)c3ccccc3CC4)cccc21.[Co+2].[Co+2].[Co].[Co].[c-]1c(-c2ccccn2)ccc2c3ccccc3n(-c3cccc(-c4csc5scnc45)n3)c12.[c-]1c(-n2ccc3cccnc32)ccc2c1N(c1cccc(-c3ccccn3)n1)c1ccccc1S2
• InChI: InChI=1S/C38H27N6.C32H24N7S.C29H18N5S.C27H15N4S2.4Co/c1-42-24-40-36-31(13-7-17-35(36)42)32-21-20-26-19-18-25-9-2-4-15-33(25)43(37(26)41-32)27-10-6-11-28(23-27)44-34-16-5-3-12-29(34)30-14-8-22-39-38(30)44;1-36-17-23(30-32(36)37(2)18-33-30)24-14-15-27-31(35-24)39(26-12-5-4-11-25(26)38(27)3)21-9-6-8-20(16-21)22-10-7-13-28-29(22)34-19-40-28;1-2-11-26-24(10-1)34(28-12-5-9-23(32-28)22-8-3-4-16-30-22)25-19-21(13-14-27(25)35-26)33-18-15-20-7-6-17-31-29(20)33;1-2-9-23-18(6-1)19-12-11-17(21-7-3-4-13-28-21)14-24(19)31(23)25-10-5-8-22(30-25)20-15-32-27-26(20)29-16-33-27;;;;/h2-17,20-22,24H,18-19H2,1H3;4-15,17-19H,1-3H3;1-18H;1-13,15-16H;;;;/q4*-1;;;2*+2
• InChIKey: PXKORKOJZJYYQV-UHFFFAOYSA-N
• XLogP: 28.78
• TPSA: 197.54 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2270.21
LogP ≤ 5	28.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(cobalt(2+));4-[3-[2-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-5-methylpyrido[2,3-b]quinoxalin-10-yl]benzene-2-id-1-yl]-1,3-benzothiazole;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydropyrido[2,3-b][1]benzazepine;6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]thieno[3,2-d][1,3]thiazole;10-(6-pyridin-2-yl-2-pyridinyl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide?

The IUPAC name of cobalt;bis(cobalt(2+));4-[3-[2-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-5-methylpyrido[2,3-b]quinoxalin-10-yl]benzene-2-id-1-yl]-1,3-benzothiazole;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydropyrido[2,3-b][1]benzazepine;6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]thieno[3,2-d][1,3]thiazole;10-(6-pyridin-2-yl-2-pyridinyl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide (CID 157187932) is cobalt;bis(cobalt(2+));4-[3-[2-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-5-methylpyrido[2,3-b]quinoxalin-10-yl]benzene-2-id-1-yl]-1,3-benzothiazole;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydropyrido[2,3-b][1]benzazepine;6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]thieno[3,2-d][1,3]thiazole;10-(6-pyridin-2-yl-2-pyridinyl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide.

What is the SMILES notation for cobalt;bis(cobalt(2+));4-[3-[2-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-5-methylpyrido[2,3-b]quinoxalin-10-yl]benzene-2-id-1-yl]-1,3-benzothiazole;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydropyrido[2,3-b][1]benzazepine;6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]thieno[3,2-d][1,3]thiazole;10-(6-pyridin-2-yl-2-pyridinyl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide?

The canonical SMILES for cobalt;bis(cobalt(2+));4-[3-[2-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-5-methylpyrido[2,3-b]quinoxalin-10-yl]benzene-2-id-1-yl]-1,3-benzothiazole;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydropyrido[2,3-b][1]benzazepine;6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]thieno[3,2-d][1,3]thiazole;10-(6-pyridin-2-yl-2-pyridinyl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide is CN1c2ccccc2N(c2[c-]c(-c3cccc4scnc34)ccc2)c2nc(-c3cn(C)c4c3[n-]c[n+]4C)ccc21.C[n+]1c[n-]c2c(-c3ccc4c(n3)N(c3[c-]c(-n5c6ccccc6c6cccnc65)ccc3)c3ccccc3CC4)cccc21.[Co+2].[Co+2].[Co].[Co].[c-]1c(-c2ccccn2)ccc2c3ccccc3n(-c3cccc(-c4csc5scnc45)n3)c12.[c-]1c(-n2ccc3cccnc32)ccc2c1N(c1cccc(-c3ccccn3)n1)c1ccccc1S2.

What is the InChIKey of cobalt;bis(cobalt(2+));4-[3-[2-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-5-methylpyrido[2,3-b]quinoxalin-10-yl]benzene-2-id-1-yl]-1,3-benzothiazole;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydropyrido[2,3-b][1]benzazepine;6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]thieno[3,2-d][1,3]thiazole;10-(6-pyridin-2-yl-2-pyridinyl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide?

The InChIKey is PXKORKOJZJYYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N6.C32H24N7S.C29H18N5S.C27H15N4S2.4Co/c1-42-24-40-36-31(13-7-17-35(36)42)32-21-20-26-19-18-25-9-2-4-15-33(25)43(37(26)41-32)27-10-6-11-28(23-27)44-34-16-5-3-12-29(34)30-14-8-22-39-38(30)44;1-36-17-23(30-32(36)37(2)18-33-30)24-14-15-27-31(35-24)39(26-12-5-4-11-25(26)38(27)3)21-9-6-8-20(16-21)22-10-7-13-28-29(22)34-19-40-28;1-2-11-26-24(10-1)34(28-12-5-9-23(32-28)22-8-3-4-16-30-22)25-19-21(13-14-27(25)35-26)33-18-15-20-7-6-17-31-29(20)33;1-2-9-23-18(6-1)19-12-11-17(21-7-3-4-13-28-21)14-24(19)31(23)25-10-5-8-22(30-25)20-15-32-27-26(20)29-16-33-27;;;;/h2-17,20-22,24H,18-19H2,1H3;4-15,17-19H,1-3H3;1-18H;1-13,15-16H;;;;/q4*-1;;;2*+2.

What are the key properties of cobalt;bis(cobalt(2+));4-[3-[2-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-5-methylpyrido[2,3-b]quinoxalin-10-yl]benzene-2-id-1-yl]-1,3-benzothiazole;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydropyrido[2,3-b][1]benzazepine;6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]thieno[3,2-d][1,3]thiazole;10-(6-pyridin-2-yl-2-pyridinyl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide?

cobalt;bis(cobalt(2+));4-[3-[2-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-5-methylpyrido[2,3-b]quinoxalin-10-yl]benzene-2-id-1-yl]-1,3-benzothiazole;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydropyrido[2,3-b][1]benzazepine;6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]thieno[3,2-d][1,3]thiazole;10-(6-pyridin-2-yl-2-pyridinyl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide has a molecular weight of 2270.21 g/mol, XLogP of 28.78, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt;bis(cobalt(2+));4-[3-[2-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-5-methylpyrido[2,3-b]quinoxalin-10-yl]benzene-2-id-1-yl]-1,3-benzothiazole;2-(1-methylbenzimidazol-1-ium-3-id-4-yl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-5,6-dihydropyrido[2,3-b][1]benzazepine;6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]thieno[3,2-d][1,3]thiazole;10-(6-pyridin-2-yl-2-pyridinyl)-2-pyrrolo[2,3-b]pyridin-1-yl-1H-phenothiazin-1-ide is sourced from PubChem (CID 157187932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).