bis(dichloromethane);2-N,5-N-dimethyl-2-N,5-N-dipyridin-2-ylpyrazine-2,5-diamine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

C38H36Cl4F12N10P2Ru — CID 139171912

About bis(dichloromethane);2-N,5-N-dimethyl-2-N,5-N-dipyridin-2-ylpyrazine-2,5-diamine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

bis(dichloromethane);2-N,5-N-dimethyl-2-N,5-N-dipyridin-2-ylpyrazine-2,5-diamine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (PubChem CID 139171912) has the molecular formula C38H36Cl4F12N10P2Ru and a molecular weight of 1165.58 g/mol. Its IUPAC name is bis(dichloromethane);2-N,5-N-dimethyl-2-N,5-N-dipyridin-2-ylpyrazine-2,5-diamine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

• Compound Name: bis(dichloromethane);2-N,5-N-dimethyl-2-N,5-N-dipyridin-2-ylpyrazine-2,5-diamine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
• PubChem CID: 139171912
• Molecular Formula: C38H36Cl4F12N10P2Ru
• Molecular Weight: 1165.58 g/mol
• Exact Mass: 1164.02
• IUPAC Name: bis(dichloromethane);2-N,5-N-dimethyl-2-N,5-N-dipyridin-2-ylpyrazine-2,5-diamine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
• SMILES: CN(c1ccccn1)c1cnc(N(C)c2ccccn2)cn1.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C16H16N6.2C10H8N2.2CH2Cl2.2F6P.Ru/c1-21(13-7-3-5-9-17-13)15-11-20-16(12-19-15)22(2)14-8-4-6-10-18-14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1-3;2*1-7(2,3,4,5)6;/h3-12H,1-2H3;2*1-8H;2*1H2;;;/q;;;;;2*-1;+2
• InChIKey: WKCXYHJAEGWPCZ-UHFFFAOYSA-N
• XLogP: 16.69
• TPSA: 109.60 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1165.58
LogP ≤ 5	16.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(dichloromethane);2-N,5-N-dimethyl-2-N,5-N-dipyridin-2-ylpyrazine-2,5-diamine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?

The IUPAC name of bis(dichloromethane);2-N,5-N-dimethyl-2-N,5-N-dipyridin-2-ylpyrazine-2,5-diamine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (CID 139171912) is bis(dichloromethane);2-N,5-N-dimethyl-2-N,5-N-dipyridin-2-ylpyrazine-2,5-diamine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.

What is the SMILES notation for bis(dichloromethane);2-N,5-N-dimethyl-2-N,5-N-dipyridin-2-ylpyrazine-2,5-diamine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?

The canonical SMILES for bis(dichloromethane);2-N,5-N-dimethyl-2-N,5-N-dipyridin-2-ylpyrazine-2,5-diamine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is CN(c1ccccn1)c1cnc(N(C)c2ccccn2)cn1.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of bis(dichloromethane);2-N,5-N-dimethyl-2-N,5-N-dipyridin-2-ylpyrazine-2,5-diamine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?

The InChIKey is WKCXYHJAEGWPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6.2C10H8N2.2CH2Cl2.2F6P.Ru/c1-21(13-7-3-5-9-17-13)15-11-20-16(12-19-15)22(2)14-8-4-6-10-18-14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1-3;2*1-7(2,3,4,5)6;/h3-12H,1-2H3;2*1-8H;2*1H2;;;/q;;;;;2*-1;+2.

What are the key properties of bis(dichloromethane);2-N,5-N-dimethyl-2-N,5-N-dipyridin-2-ylpyrazine-2,5-diamine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?

bis(dichloromethane);2-N,5-N-dimethyl-2-N,5-N-dipyridin-2-ylpyrazine-2,5-diamine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 1165.58 g/mol, XLogP of 16.69, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dichloromethane);2-N,5-N-dimethyl-2-N,5-N-dipyridin-2-ylpyrazine-2,5-diamine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139171912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).