benzene;bis((4-tert-butylphenyl)sulfonylazanide);bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide)

C90H90B4Co2N20O4S2 — CID 139144026

About benzene;bis((4-tert-butylphenyl)sulfonylazanide);bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide)

benzene;bis((4-tert-butylphenyl)sulfonylazanide);bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide) (PubChem CID 139144026) has the molecular formula C90H90B4Co2N20O4S2 and a molecular weight of 1741.09 g/mol. Its IUPAC name is benzene;bis((4-tert-butylphenyl)sulfonylazanide);bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide).

Molecular Properties

• Compound Name: benzene;bis((4-tert-butylphenyl)sulfonylazanide);bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide)
• PubChem CID: 139144026
• Molecular Formula: C90H90B4Co2N20O4S2
• Molecular Weight: 1741.09 g/mol
• Exact Mass: 1740.59
• IUPAC Name: benzene;bis((4-tert-butylphenyl)sulfonylazanide);bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide)
• SMILES: CC(C)(C)c1ccc(S([NH-])(=O)=O)cc1.CC(C)(C)c1ccc(S([NH-])(=O)=O)cc1.[Co+3].[Co+3].c1ccc([B-](c2cccc([B-](c3ccccc3)(n3cccn3)n3cccn3)n2)(n2cccn2)n2cccn2)cc1.c1ccc([B-](c2cccc([B-](c3ccccc3)(n3cccn3)n3cccn3)n2)(n2cccn2)n2cccn2)cc1.c1ccccc1.c1ccccc1
• InChI: InChI=1S/2C29H25B2N9.2C10H14NO2S.2C6H6.2Co/c2*1-3-12-26(13-4-1)30(37-22-8-18-32-37,38-23-9-19-33-38)28-16-7-17-29(36-28)31(39-24-10-20-34-39,40-25-11-21-35-40)27-14-5-2-6-15-27;2*1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;2*1-2-4-6-5-3-1;;/h2*1-25H;2*4-7H,1-3H3,(H-,11,12,13);2*1-6H;;/q2*-2;2*-1;;;2*+3
• InChIKey: QFVNZLBVHIYAHM-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 284.22 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1741.09
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene;bis((4-tert-butylphenyl)sulfonylazanide);bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide)?

The IUPAC name of benzene;bis((4-tert-butylphenyl)sulfonylazanide);bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide) (CID 139144026) is benzene;bis((4-tert-butylphenyl)sulfonylazanide);bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide).

What is the SMILES notation for benzene;bis((4-tert-butylphenyl)sulfonylazanide);bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide)?

The canonical SMILES for benzene;bis((4-tert-butylphenyl)sulfonylazanide);bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide) is CC(C)(C)c1ccc(S([NH-])(=O)=O)cc1.CC(C)(C)c1ccc(S([NH-])(=O)=O)cc1.[Co+3].[Co+3].c1ccc([B-](c2cccc([B-](c3ccccc3)(n3cccn3)n3cccn3)n2)(n2cccn2)n2cccn2)cc1.c1ccc([B-](c2cccc([B-](c3ccccc3)(n3cccn3)n3cccn3)n2)(n2cccn2)n2cccn2)cc1.c1ccccc1.c1ccccc1.

What is the InChIKey of benzene;bis((4-tert-butylphenyl)sulfonylazanide);bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide)?

The InChIKey is QFVNZLBVHIYAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H25B2N9.2C10H14NO2S.2C6H6.2Co/c2*1-3-12-26(13-4-1)30(37-22-8-18-32-37,38-23-9-19-33-38)28-16-7-17-29(36-28)31(39-24-10-20-34-39,40-25-11-21-35-40)27-14-5-2-6-15-27;2*1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;2*1-2-4-6-5-3-1;;/h2*1-25H;2*4-7H,1-3H3,(H-,11,12,13);2*1-6H;;/q2*-2;2*-1;;;2*+3.

What are the key properties of benzene;bis((4-tert-butylphenyl)sulfonylazanide);bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide)?

benzene;bis((4-tert-butylphenyl)sulfonylazanide);bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide) has a molecular weight of 1741.09 g/mol, XLogP of 11.17, 18 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;bis((4-tert-butylphenyl)sulfonylazanide);bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide) is sourced from PubChem (CID 139144026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).