1,4-diiminoanthracene-9,10-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate

C54H40Cl3N10O14Ru2 — CID 139141268

About 1,4-diiminoanthracene-9,10-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate

1,4-diiminoanthracene-9,10-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate (PubChem CID 139141268) has the molecular formula C54H40Cl3N10O14Ru2 and a molecular weight of 1361.47 g/mol. Its IUPAC name is 1,4-diiminoanthracene-9,10-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate.

Molecular Properties

• Compound Name: 1,4-diiminoanthracene-9,10-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate
• PubChem CID: 139141268
• Molecular Formula: C54H40Cl3N10O14Ru2
• Molecular Weight: 1361.47 g/mol
• Exact Mass: 1360.99
• IUPAC Name: 1,4-diiminoanthracene-9,10-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate
• SMILES: [H]/N=C1\C=C/C(=N\[H])c2c1c([O-])c1ccccc1c2[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C14H10N2O2.4C10H8N2.3ClHO4.2Ru/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*2-1(3,4)5;;/h1-6,15-18H;4*1-8H;3*(H,2,3,4,5);;/q;;;;;;;;+2;+3/p-5/b15-9+,16-10+
• InChIKey: XNAPHTRDZPFMSM-RWYMRHPESA-I
• XLogP: -4.41
• TPSA: 473.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 4
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1361.47
LogP ≤ 5	-4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-diiminoanthracene-9,10-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate?

The IUPAC name of 1,4-diiminoanthracene-9,10-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate (CID 139141268) is 1,4-diiminoanthracene-9,10-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate.

What is the SMILES notation for 1,4-diiminoanthracene-9,10-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate?

The canonical SMILES for 1,4-diiminoanthracene-9,10-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate is [H]/N=C1\C=C/C(=N\[H])c2c1c([O-])c1ccccc1c2[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 1,4-diiminoanthracene-9,10-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate?

The InChIKey is XNAPHTRDZPFMSM-RWYMRHPESA-I. The full InChI is InChI=1S/C14H10N2O2.4C10H8N2.3ClHO4.2Ru/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*2-1(3,4)5;;/h1-6,15-18H;4*1-8H;3*(H,2,3,4,5);;/q;;;;;;;;+2;+3/p-5/b15-9+,16-10+;;;;;;;;;.

What are the key properties of 1,4-diiminoanthracene-9,10-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate?

1,4-diiminoanthracene-9,10-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate has a molecular weight of 1361.47 g/mol, XLogP of -4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-diiminoanthracene-9,10-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate is sourced from PubChem (CID 139141268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).