1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]-N-[2-(1,10-phenanthrolin-4-yloxy)ethyl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium

C65H55N11O5Ru — CID 158224909

About 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]-N-[2-(1,10-phenanthrolin-4-yloxy)ethyl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium

1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]-N-[2-(1,10-phenanthrolin-4-yloxy)ethyl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium (PubChem CID 158224909) has the molecular formula C65H55N11O5Ru and a molecular weight of 1171.30 g/mol. Its IUPAC name is 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]-N-[2-(1,10-phenanthrolin-4-yloxy)ethyl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium.

Molecular Properties

• Compound Name: 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]-N-[2-(1,10-phenanthrolin-4-yloxy)ethyl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium
• PubChem CID: 158224909
• Molecular Formula: C65H55N11O5Ru
• Molecular Weight: 1171.30 g/mol
• Exact Mass: 1171.34
• IUPAC Name: 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]-N-[2-(1,10-phenanthrolin-4-yloxy)ethyl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium
• SMILES: Cn1cccc1C(=O)Cc1cc(C(=O)Cc2cc(C(=O)Cc3cc(C(=O)NCCOc4ccnc5c4ccc4cccnc45)n(C)c3)n(C)c2)n(C)c1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C41H39N7O5.2C12H8N2.Ru/c1-45-15-6-8-31(45)35(49)20-26-17-32(46(2)23-26)36(50)21-27-18-33(47(3)24-27)37(51)22-28-19-34(48(4)25-28)41(52)44-14-16-53-38-11-13-43-40-30(38)10-9-29-7-5-12-42-39(29)40;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h5-13,15,17-19,23-25H,14,16,20-22H2,1-4H3,(H,44,52);2*1-8H
• InChIKey: GDRHFZMUYBQAQP-UHFFFAOYSA-N
• XLogP: 10.79
• TPSA: 186.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1171.30
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]-N-[2-(1,10-phenanthrolin-4-yloxy)ethyl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium?

The IUPAC name of 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]-N-[2-(1,10-phenanthrolin-4-yloxy)ethyl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium (CID 158224909) is 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]-N-[2-(1,10-phenanthrolin-4-yloxy)ethyl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium.

What is the SMILES notation for 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]-N-[2-(1,10-phenanthrolin-4-yloxy)ethyl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium?

The canonical SMILES for 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]-N-[2-(1,10-phenanthrolin-4-yloxy)ethyl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium is Cn1cccc1C(=O)Cc1cc(C(=O)Cc2cc(C(=O)Cc3cc(C(=O)NCCOc4ccnc5c4ccc4cccnc45)n(C)c3)n(C)c2)n(C)c1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]-N-[2-(1,10-phenanthrolin-4-yloxy)ethyl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium?

The InChIKey is GDRHFZMUYBQAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39N7O5.2C12H8N2.Ru/c1-45-15-6-8-31(45)35(49)20-26-17-32(46(2)23-26)36(50)21-27-18-33(47(3)24-27)37(51)22-28-19-34(48(4)25-28)41(52)44-14-16-53-38-11-13-43-40-30(38)10-9-29-7-5-12-42-39(29)40;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h5-13,15,17-19,23-25H,14,16,20-22H2,1-4H3,(H,44,52);2*1-8H;.

What are the key properties of 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]-N-[2-(1,10-phenanthrolin-4-yloxy)ethyl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium?

1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]-N-[2-(1,10-phenanthrolin-4-yloxy)ethyl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium has a molecular weight of 1171.30 g/mol, XLogP of 10.79, 14 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]-N-[2-(1,10-phenanthrolin-4-yloxy)ethyl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium is sourced from PubChem (CID 158224909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).