[(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+)

C34H26N8Ru — CID 139127814

About [(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+)

[(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+) (PubChem CID 139127814) has the molecular formula C34H26N8Ru and a molecular weight of 647.71 g/mol. Its IUPAC name is [(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+).

Molecular Properties

• Compound Name: [(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+)
• PubChem CID: 139127814
• Molecular Formula: C34H26N8Ru
• Molecular Weight: 647.71 g/mol
• Exact Mass: 648.13
• IUPAC Name: [(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+)
• SMILES: C1=CC(=N/[N-]c2ccccn2)/C(=N/c2ccccc2)C=C1.[Ru+2].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1
• InChI: InChI=1S/2C17H13N4.Ru/c2*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;/h2*1-13H;/q2*-1;+2/b21-20+;19-15+,20-16-
• InChIKey: CJIZYMQASRCXOZ-ZBLBVKMHSA-N
• XLogP: 10.17
• TPSA: 103.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.71
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+)?

The IUPAC name of [(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+) (CID 139127814) is [(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+).

What is the SMILES notation for [(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+)?

The canonical SMILES for [(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+) is C1=CC(=N/[N-]c2ccccn2)/C(=N/c2ccccc2)C=C1.[Ru+2].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.

What is the InChIKey of [(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+)?

The InChIKey is CJIZYMQASRCXOZ-ZBLBVKMHSA-N. The full InChI is InChI=1S/2C17H13N4.Ru/c2*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;/h2*1-13H;/q2*-1;+2/b21-20+;19-15+,20-16-;.

What are the key properties of [(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+)?

[(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+) has a molecular weight of 647.71 g/mol, XLogP of 10.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+) is sourced from PubChem (CID 139127814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).