cobalt(2+);oxido(triphenyl)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide

C45H61BCoN6OSi — CID 139106309

About cobalt(2+);oxido(triphenyl)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide

cobalt(2+);oxido(triphenyl)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide (PubChem CID 139106309) has the molecular formula C45H61BCoN6OSi and a molecular weight of 799.86 g/mol. Its IUPAC name is cobalt(2+);oxido(triphenyl)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide.

Molecular Properties

• Compound Name: cobalt(2+);oxido(triphenyl)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide
• PubChem CID: 139106309
• Molecular Formula: C45H61BCoN6OSi
• Molecular Weight: 799.86 g/mol
• Exact Mass: 799.41
• IUPAC Name: cobalt(2+);oxido(triphenyl)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide
• SMILES: CC(C)c1cc(C(C)C)n([BH-](n2nc(C(C)C)cc2C(C)C)n2nc(C(C)C)cc2C(C)C)n1.[Co+2].[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C27H46BN6.C18H15OSi.Co/c1-16(2)22-13-25(19(7)8)32(29-22)28(33-26(20(9)10)14-23(30-33)17(3)4)34-27(21(11)12)15-24(31-34)18(5)6;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h13-21,28H,1-12H3;1-15H;/q2*-1;+2
• InChIKey: NGCMVIFENQYDDQ-UHFFFAOYSA-N
• XLogP: 7.69
• TPSA: 76.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.86
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);oxido(triphenyl)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide?

The IUPAC name of cobalt(2+);oxido(triphenyl)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide (CID 139106309) is cobalt(2+);oxido(triphenyl)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide.

What is the SMILES notation for cobalt(2+);oxido(triphenyl)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide?

The canonical SMILES for cobalt(2+);oxido(triphenyl)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide is CC(C)c1cc(C(C)C)n([BH-](n2nc(C(C)C)cc2C(C)C)n2nc(C(C)C)cc2C(C)C)n1.[Co+2].[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of cobalt(2+);oxido(triphenyl)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide?

The InChIKey is NGCMVIFENQYDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46BN6.C18H15OSi.Co/c1-16(2)22-13-25(19(7)8)32(29-22)28(33-26(20(9)10)14-23(30-33)17(3)4)34-27(21(11)12)15-24(31-34)18(5)6;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h13-21,28H,1-12H3;1-15H;/q2*-1;+2.

What are the key properties of cobalt(2+);oxido(triphenyl)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide?

cobalt(2+);oxido(triphenyl)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide has a molecular weight of 799.86 g/mol, XLogP of 7.69, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);oxido(triphenyl)silane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide is sourced from PubChem (CID 139106309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).