bis(5-ethoxy-1,10-phenanthroline);3-hydroxy-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;tetrakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium

C126H128N28O11Ru2 — CID 159303170

About bis(5-ethoxy-1,10-phenanthroline);3-hydroxy-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;tetrakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium

bis(5-ethoxy-1,10-phenanthroline);3-hydroxy-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;tetrakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium (PubChem CID 159303170) has the molecular formula C126H128N28O11Ru2 and a molecular weight of 2412.73 g/mol. Its IUPAC name is bis(5-ethoxy-1,10-phenanthroline);3-hydroxy-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;tetrakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium.

Molecular Properties

• Compound Name: bis(5-ethoxy-1,10-phenanthroline);3-hydroxy-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;tetrakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium
• PubChem CID: 159303170
• Molecular Formula: C126H128N28O11Ru2
• Molecular Weight: 2412.73 g/mol
• Exact Mass: 2412.84
• IUPAC Name: bis(5-ethoxy-1,10-phenanthroline);3-hydroxy-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;tetrakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium
• SMILES: CCOc1cc2cccnc2c2ncccc12.CCOc1cc2cccnc2c2ncccc12.CNC(=O)c1cc(NC(=O)c2c(O)c(NC(=O)c3cc(NC(=O)c4cccn4C)cn3C)cn2C)cn1C.CNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cccn4C)cn3C)cn2C)cn1C.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Ru].[Ru]
• InChI: InChI=1S/C25H28N8O5.C25H28N8O4.2C14H12N2O.4C12H12N2.2Ru/c1-26-22(35)18-9-15(12-31(18)3)28-25(38)20-21(34)16(13-33(20)5)29-24(37)19-10-14(11-32(19)4)27-23(36)17-7-6-8-30(17)2;1-26-22(34)19-9-15(12-31(19)3)28-24(36)21-11-17(14-33(21)5)29-25(37)20-10-16(13-32(20)4)27-23(35)18-7-6-8-30(18)2;2*1-2-17-12-9-10-5-3-7-15-13(10)14-11(12)6-4-8-16-14;4*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;/h6-13,34H,1-5H3,(H,26,35)(H,27,36)(H,28,38)(H,29,37);6-14H,1-5H3,(H,26,34)(H,27,35)(H,28,36)(H,29,37);2*3-9H,2H2,1H3;4*3-8H,1-2H3
• InChIKey: LBOYAWFVQLWEML-UHFFFAOYSA-N
• XLogP: 21.42
• TPSA: 465.61 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2412.73
LogP ≤ 5	21.42
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(5-ethoxy-1,10-phenanthroline);3-hydroxy-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;tetrakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium?

The IUPAC name of bis(5-ethoxy-1,10-phenanthroline);3-hydroxy-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;tetrakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium (CID 159303170) is bis(5-ethoxy-1,10-phenanthroline);3-hydroxy-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;tetrakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium.

What is the SMILES notation for bis(5-ethoxy-1,10-phenanthroline);3-hydroxy-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;tetrakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium?

The canonical SMILES for bis(5-ethoxy-1,10-phenanthroline);3-hydroxy-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;tetrakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium is CCOc1cc2cccnc2c2ncccc12.CCOc1cc2cccnc2c2ncccc12.CNC(=O)c1cc(NC(=O)c2c(O)c(NC(=O)c3cc(NC(=O)c4cccn4C)cn3C)cn2C)cn1C.CNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cccn4C)cn3C)cn2C)cn1C.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Ru].[Ru].

What is the InChIKey of bis(5-ethoxy-1,10-phenanthroline);3-hydroxy-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;tetrakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium?

The InChIKey is LBOYAWFVQLWEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O5.C25H28N8O4.2C14H12N2O.4C12H12N2.2Ru/c1-26-22(35)18-9-15(12-31(18)3)28-25(38)20-21(34)16(13-33(20)5)29-24(37)19-10-14(11-32(19)4)27-23(36)17-7-6-8-30(17)2;1-26-22(34)19-9-15(12-31(19)3)28-24(36)21-11-17(14-33(21)5)29-25(37)20-10-16(13-32(20)4)27-23(35)18-7-6-8-30(18)2;2*1-2-17-12-9-10-5-3-7-15-13(10)14-11(12)6-4-8-16-14;4*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;/h6-13,34H,1-5H3,(H,26,35)(H,27,36)(H,28,38)(H,29,37);6-14H,1-5H3,(H,26,34)(H,27,35)(H,28,36)(H,29,37);2*3-9H,2H2,1H3;4*3-8H,1-2H3;;.

What are the key properties of bis(5-ethoxy-1,10-phenanthroline);3-hydroxy-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;tetrakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium?

bis(5-ethoxy-1,10-phenanthroline);3-hydroxy-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;tetrakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium has a molecular weight of 2412.73 g/mol, XLogP of 21.42, 22 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-ethoxy-1,10-phenanthroline);3-hydroxy-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;tetrakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium is sourced from PubChem (CID 159303170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).