(2E)-2-(3-oxoindol-1-id-2-ylidene)indol-1-id-3-one;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate

C56H40Cl3N10O14Ru2 — CID 139170511

About (2E)-2-(3-oxoindol-1-id-2-ylidene)indol-1-id-3-one;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate

(2E)-2-(3-oxoindol-1-id-2-ylidene)indol-1-id-3-one;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate (PubChem CID 139170511) has the molecular formula C56H40Cl3N10O14Ru2 and a molecular weight of 1385.49 g/mol. Its IUPAC name is (2E)-2-(3-oxoindol-1-id-2-ylidene)indol-1-id-3-one;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate.

Molecular Properties

• Compound Name: (2E)-2-(3-oxoindol-1-id-2-ylidene)indol-1-id-3-one;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate
• PubChem CID: 139170511
• Molecular Formula: C56H40Cl3N10O14Ru2
• Molecular Weight: 1385.49 g/mol
• Exact Mass: 1384.99
• IUPAC Name: (2E)-2-(3-oxoindol-1-id-2-ylidene)indol-1-id-3-one;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate
• SMILES: O=C1/C(=C2\[N-]c3ccccc3C2=O)[N-]c2ccccc21.[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/C16H10N2O2.4C10H8N2.3ClHO4.2Ru/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*2-1(3,4)5;;/h1-8H,(H2,17,18,19,20);4*1-8H;3*(H,2,3,4,5);;/q;;;;;;;;+2;+3/p-5
• InChIKey: AIJJVMIAWNUQRO-UHFFFAOYSA-I
• XLogP: -1.70
• TPSA: 442.18 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 4
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1385.49
LogP ≤ 5	-1.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_het_E(44)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3-oxoindol-1-id-2-ylidene)indol-1-id-3-one;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate?

The IUPAC name of (2E)-2-(3-oxoindol-1-id-2-ylidene)indol-1-id-3-one;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate (CID 139170511) is (2E)-2-(3-oxoindol-1-id-2-ylidene)indol-1-id-3-one;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate.

What is the SMILES notation for (2E)-2-(3-oxoindol-1-id-2-ylidene)indol-1-id-3-one;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate?

The canonical SMILES for (2E)-2-(3-oxoindol-1-id-2-ylidene)indol-1-id-3-one;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate is O=C1/C(=C2\[N-]c3ccccc3C2=O)[N-]c2ccccc21.[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 (2E)-2-(3-oxoindol-1-id-2-ylidene)indol-1-id-3-one;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate?

The InChIKey is AIJJVMIAWNUQRO-UHFFFAOYSA-I. The full InChI is InChI=1S/C16H10N2O2.4C10H8N2.3ClHO4.2Ru/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*2-1(3,4)5;;/h1-8H,(H2,17,18,19,20);4*1-8H;3*(H,2,3,4,5);;/q;;;;;;;;+2;+3/p-5.

What are the key properties of (2E)-2-(3-oxoindol-1-id-2-ylidene)indol-1-id-3-one;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate?

(2E)-2-(3-oxoindol-1-id-2-ylidene)indol-1-id-3-one;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate has a molecular weight of 1385.49 g/mol, XLogP of -1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-(3-oxoindol-1-id-2-ylidene)indol-1-id-3-one;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate is sourced from PubChem (CID 139170511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).