ethane;1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium

C64H58N14O5Ru — CID 161441939

About ethane;1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium

ethane;1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium (PubChem CID 161441939) has the molecular formula C64H58N14O5Ru and a molecular weight of 1204.33 g/mol. Its IUPAC name is ethane;1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium.

Molecular Properties

• Compound Name: ethane;1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium
• PubChem CID: 161441939
• Molecular Formula: C64H58N14O5Ru
• Molecular Weight: 1204.33 g/mol
• Exact Mass: 1204.38
• IUPAC Name: ethane;1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium
• SMILES: CC.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cccn4C)cn3C)cn2C)cc1C(=O)NCCOc1ccnc2c1ccc1cccnc12.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C38H36N10O5.2C12H8N2.C2H6.Ru/c1-45-15-6-8-28(45)36(50)42-25-18-30(47(3)21-25)38(52)44-26-19-31(48(4)22-26)37(51)43-24-17-29(46(2)20-24)35(49)41-14-16-53-32-11-13-40-34-27(32)10-9-23-7-5-12-39-33(23)34;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2;/h5-13,15,17-22H,14,16H2,1-4H3,(H,41,49)(H,42,50)(H,43,51)(H,44,52);2*1-8H;1-2H3
• InChIKey: VZJRMALETVKSLR-UHFFFAOYSA-N
• XLogP: 11.29
• TPSA: 222.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1204.33
LogP ≤ 5	11.29
H-Bond Donors ≤ 5	4
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 ethane;1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium?

The IUPAC name of ethane;1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium (CID 161441939) is ethane;1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium.

What is the SMILES notation for ethane;1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium?

The canonical SMILES for ethane;1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium is CC.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cccn4C)cn3C)cn2C)cc1C(=O)NCCOc1ccnc2c1ccc1cccnc12.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of ethane;1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium?

The InChIKey is VZJRMALETVKSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N10O5.2C12H8N2.C2H6.Ru/c1-45-15-6-8-28(45)36(50)42-25-18-30(47(3)21-25)38(52)44-26-19-31(48(4)22-26)37(51)43-24-17-29(46(2)20-24)35(49)41-14-16-53-32-11-13-40-34-27(32)10-9-23-7-5-12-39-33(23)34;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2;/h5-13,15,17-22H,14,16H2,1-4H3,(H,41,49)(H,42,50)(H,43,51)(H,44,52);2*1-8H;1-2H3;.

What are the key properties of ethane;1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium?

ethane;1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium has a molecular weight of 1204.33 g/mol, XLogP of 11.29, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium is sourced from PubChem (CID 161441939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).