1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;tetrakis(1,10-phenanthroline);bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium

C166H130N44O9Ru3S2 — CID 160621838

About 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;tetrakis(1,10-phenanthroline);bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium

1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;tetrakis(1,10-phenanthroline);bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium (PubChem CID 160621838) has the molecular formula C166H130N44O9Ru3S2 and a molecular weight of 3252.51 g/mol. Its IUPAC name is 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;tetrakis(1,10-phenanthroline);bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium.

Molecular Properties

• Compound Name: 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;tetrakis(1,10-phenanthroline);bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium
• PubChem CID: 160621838
• Molecular Formula: C166H130N44O9Ru3S2
• Molecular Weight: 3252.51 g/mol
• Exact Mass: 3252.76
• IUPAC Name: 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;tetrakis(1,10-phenanthroline);bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium
• SMILES: Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cc2cccnc2c2ncccc12.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCSc1cc2cccnc2c2ncccc12.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCSc1ccnc2c1ccc1cccnc12.[Ru].[Ru].[Ru].c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C30H28N10O3.2C30H27N9O3S.2C14H8N4.4C12H8N2.3Ru/c1-38-11-10-33-27(38)30(43)37-20-14-24(40(3)16-20)29(42)36-19-13-23(39(2)15-19)28(41)35-17-34-22-12-18-6-4-8-31-25(18)26-21(22)7-5-9-32-26;1-37-11-10-33-27(37)30(42)36-20-14-23(39(3)16-20)29(41)35-19-13-22(38(2)15-19)28(40)34-17-43-24-12-18-6-4-8-31-25(18)26-21(24)7-5-9-32-26;1-37-12-11-33-27(37)30(42)36-20-14-23(39(3)16-20)29(41)35-19-13-22(38(2)15-19)28(40)34-17-43-24-8-10-32-26-21(24)7-6-18-5-4-9-31-25(18)26;2*1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14;4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h4-16,34H,17H2,1-3H3,(H,35,41)(H,36,42)(H,37,43);2*4-16H,17H2,1-3H3,(H,34,40)(H,35,41)(H,36,42);2*1-8H;4*1-8H
• InChIKey: RGULUEILXDICQI-UHFFFAOYSA-N
• XLogP: 28.43
• TPSA: 640.55 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 46
• Rotatable Bonds: 24
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3252.51
LogP ≤ 5	28.43
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;tetrakis(1,10-phenanthroline);bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium?

The IUPAC name of 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;tetrakis(1,10-phenanthroline);bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium (CID 160621838) is 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;tetrakis(1,10-phenanthroline);bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium.

What is the SMILES notation for 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;tetrakis(1,10-phenanthroline);bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium?

The canonical SMILES for 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;tetrakis(1,10-phenanthroline);bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium is Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cc2cccnc2c2ncccc12.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCSc1cc2cccnc2c2ncccc12.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCSc1ccnc2c1ccc1cccnc12.[Ru].[Ru].[Ru].c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;tetrakis(1,10-phenanthroline);bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium?

The InChIKey is RGULUEILXDICQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N10O3.2C30H27N9O3S.2C14H8N4.4C12H8N2.3Ru/c1-38-11-10-33-27(38)30(43)37-20-14-24(40(3)16-20)29(42)36-19-13-23(39(2)15-19)28(41)35-17-34-22-12-18-6-4-8-31-25(18)26-21(22)7-5-9-32-26;1-37-11-10-33-27(37)30(42)36-20-14-23(39(3)16-20)29(41)35-19-13-22(38(2)15-19)28(40)34-17-43-24-12-18-6-4-8-31-25(18)26-21(24)7-5-9-32-26;1-37-12-11-33-27(37)30(42)36-20-14-23(39(3)16-20)29(41)35-19-13-22(38(2)15-19)28(40)34-17-43-24-8-10-32-26-21(24)7-6-18-5-4-9-31-25(18)26;2*1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14;4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h4-16,34H,17H2,1-3H3,(H,35,41)(H,36,42)(H,37,43);2*4-16H,17H2,1-3H3,(H,34,40)(H,35,41)(H,36,42);2*1-8H;4*1-8H;;;.

What are the key properties of 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;tetrakis(1,10-phenanthroline);bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium?

1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;tetrakis(1,10-phenanthroline);bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium has a molecular weight of 3252.51 g/mol, XLogP of 28.43, 24 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;tetrakis(1,10-phenanthroline);bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium is sourced from PubChem (CID 160621838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).