carbon monoxide;tris(dichloromethane);rhenium;tris(2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine)

C30H18Cl6N15O9Re3-3 — CID 139159528

About carbon monoxide;tris(dichloromethane);rhenium;tris(2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine)

carbon monoxide;tris(dichloromethane);rhenium;tris(2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine) (PubChem CID 139159528) has the molecular formula C30H18Cl6N15O9Re3-3 and a molecular weight of 1503.91 g/mol. Its IUPAC name is carbon monoxide;tris(dichloromethane);rhenium;tris(2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine).

Molecular Properties

• Compound Name: carbon monoxide;tris(dichloromethane);rhenium;tris(2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine)
• PubChem CID: 139159528
• Molecular Formula: C30H18Cl6N15O9Re3-3
• Molecular Weight: 1503.91 g/mol
• Exact Mass: 1502.82
• IUPAC Name: carbon monoxide;tris(dichloromethane);rhenium;tris(2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine)
• SMILES: ClCCl.ClCCl.ClCCl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re].[Re].c1ccc(-c2nnn[n-]2)nc1.c1ccc(-c2nnn[n-]2)nc1.c1ccc(-c2nnn[n-]2)nc1
• InChI: InChI=1S/3C6H4N5.3CH2Cl2.9CO.3Re/c3*1-2-4-7-5(3-1)6-8-10-11-9-6;3*2-1-3;9*1-2;;;/h3*1-4H;3*1H2;;;;;;;;;;;;/q3*-1
• InChIKey: PQFBFICFVXHTDT-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 376.08 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 3
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1503.91
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;tris(dichloromethane);rhenium;tris(2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine)?

The IUPAC name of carbon monoxide;tris(dichloromethane);rhenium;tris(2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine) (CID 139159528) is carbon monoxide;tris(dichloromethane);rhenium;tris(2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine).

What is the SMILES notation for carbon monoxide;tris(dichloromethane);rhenium;tris(2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine)?

The canonical SMILES for carbon monoxide;tris(dichloromethane);rhenium;tris(2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine) is ClCCl.ClCCl.ClCCl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re].[Re].c1ccc(-c2nnn[n-]2)nc1.c1ccc(-c2nnn[n-]2)nc1.c1ccc(-c2nnn[n-]2)nc1.

What is the InChIKey of carbon monoxide;tris(dichloromethane);rhenium;tris(2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine)?

The InChIKey is PQFBFICFVXHTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H4N5.3CH2Cl2.9CO.3Re/c3*1-2-4-7-5(3-1)6-8-10-11-9-6;3*2-1-3;9*1-2;;;/h3*1-4H;3*1H2;;;;;;;;;;;;/q3*-1;;;;;;;;;;;;;;;.

What are the key properties of carbon monoxide;tris(dichloromethane);rhenium;tris(2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine)?

carbon monoxide;tris(dichloromethane);rhenium;tris(2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine) has a molecular weight of 1503.91 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for carbon monoxide;tris(dichloromethane);rhenium;tris(2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine) is sourced from PubChem (CID 139159528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).