bis(N,N-dimethylformamide);bis(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile);bis(rhodium(2+));tetraacetate

C42H44N8O10Rh2 — CID 139156749

About bis(N,N-dimethylformamide);bis(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile);bis(rhodium(2+));tetraacetate

bis(N,N-dimethylformamide);bis(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile);bis(rhodium(2+));tetraacetate (PubChem CID 139156749) has the molecular formula C42H44N8O10Rh2 and a molecular weight of 1026.67 g/mol. Its IUPAC name is bis(N,N-dimethylformamide);bis(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile);bis(rhodium(2+));tetraacetate.

Molecular Properties

• Compound Name: bis(N,N-dimethylformamide);bis(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile);bis(rhodium(2+));tetraacetate
• PubChem CID: 139156749
• Molecular Formula: C42H44N8O10Rh2
• Molecular Weight: 1026.67 g/mol
• Exact Mass: 1026.13
• IUPAC Name: bis(N,N-dimethylformamide);bis(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile);bis(rhodium(2+));tetraacetate
• SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CN(C)C=O.CN(C)C=O.N#Cc1ccc(-c2c[nH]c3ncccc23)cc1.N#Cc1ccc(-c2c[nH]c3ncccc23)cc1.[Rh+2].[Rh+2]
• InChI: InChI=1S/2C14H9N3.2C3H7NO.4C2H4O2.2Rh/c2*15-8-10-3-5-11(6-4-10)13-9-17-14-12(13)2-1-7-16-14;2*1-4(2)3-5;4*1-2(3)4;;/h2*1-7,9H,(H,16,17);2*3H,1-2H3;4*1H3,(H,3,4);;/q;;;;;;;;2*+2/p-4
• InChIKey: CSYHNKZGEOPGKG-UHFFFAOYSA-J
• XLogP: 0.63
• TPSA: 306.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1026.67
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylformamide);bis(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile);bis(rhodium(2+));tetraacetate?

The IUPAC name of bis(N,N-dimethylformamide);bis(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile);bis(rhodium(2+));tetraacetate (CID 139156749) is bis(N,N-dimethylformamide);bis(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile);bis(rhodium(2+));tetraacetate.

What is the SMILES notation for bis(N,N-dimethylformamide);bis(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile);bis(rhodium(2+));tetraacetate?

The canonical SMILES for bis(N,N-dimethylformamide);bis(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile);bis(rhodium(2+));tetraacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CN(C)C=O.CN(C)C=O.N#Cc1ccc(-c2c[nH]c3ncccc23)cc1.N#Cc1ccc(-c2c[nH]c3ncccc23)cc1.[Rh+2].[Rh+2].

What is the InChIKey of bis(N,N-dimethylformamide);bis(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile);bis(rhodium(2+));tetraacetate?

The InChIKey is CSYHNKZGEOPGKG-UHFFFAOYSA-J. The full InChI is InChI=1S/2C14H9N3.2C3H7NO.4C2H4O2.2Rh/c2*15-8-10-3-5-11(6-4-10)13-9-17-14-12(13)2-1-7-16-14;2*1-4(2)3-5;4*1-2(3)4;;/h2*1-7,9H,(H,16,17);2*3H,1-2H3;4*1H3,(H,3,4);;/q;;;;;;;;2*+2/p-4.

What are the key properties of bis(N,N-dimethylformamide);bis(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile);bis(rhodium(2+));tetraacetate?

bis(N,N-dimethylformamide);bis(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile);bis(rhodium(2+));tetraacetate has a molecular weight of 1026.67 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N,N-dimethylformamide);bis(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile);bis(rhodium(2+));tetraacetate is sourced from PubChem (CID 139156749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).