hydron;bis(5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoate);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)

C52H40N10O6Ru+2 — CID 11979868

About hydron;bis(5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoate);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)

hydron;bis(5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoate);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+) (PubChem CID 11979868) has the molecular formula C52H40N10O6Ru+2 and a molecular weight of 1002.03 g/mol. Its IUPAC name is hydron;bis(5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoate);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+).

Molecular Properties

• Compound Name: hydron;bis(5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoate);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
• PubChem CID: 11979868
• Molecular Formula: C52H40N10O6Ru+2
• Molecular Weight: 1002.03 g/mol
• Exact Mass: 1002.22
• IUPAC Name: hydron;bis(5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoate);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
• SMILES: O=C([O-])CCCC(=O)Nc1cc2cccnc2c2ncccc12.O=C([O-])CCCC(=O)Nc1cc2cccnc2c2ncccc12.[H+].[H+].[Ru+2].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
• InChI: InChI=1S/C18H10N4.2C17H15N3O3.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*21-14(6-1-7-15(22)23)20-13-10-11-4-2-8-18-16(11)17-12(13)5-3-9-19-17;/h1-10H;2*2-5,8-10H,1,6-7H2,(H,20,21)(H,22,23);/q;;;+2
• InChIKey: KGUWJUVCGFTKMM-UHFFFAOYSA-N
• XLogP: 7.39
• TPSA: 241.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1002.03
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of hydron;bis(5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoate);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)?

The IUPAC name of hydron;bis(5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoate);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+) (CID 11979868) is hydron;bis(5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoate);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+).

What is the SMILES notation for hydron;bis(5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoate);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)?

The canonical SMILES for hydron;bis(5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoate);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+) is O=C([O-])CCCC(=O)Nc1cc2cccnc2c2ncccc12.O=C([O-])CCCC(=O)Nc1cc2cccnc2c2ncccc12.[H+].[H+].[Ru+2].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.

What is the InChIKey of hydron;bis(5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoate);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)?

The InChIKey is KGUWJUVCGFTKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4.2C17H15N3O3.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*21-14(6-1-7-15(22)23)20-13-10-11-4-2-8-18-16(11)17-12(13)5-3-9-19-17;/h1-10H;2*2-5,8-10H,1,6-7H2,(H,20,21)(H,22,23);/q;;;+2.

What are the key properties of hydron;bis(5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoate);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)?

hydron;bis(5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoate);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+) has a molecular weight of 1002.03 g/mol, XLogP of 7.39, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for hydron;bis(5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoate);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+) is sourced from PubChem (CID 11979868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).