bis((1Z,5Z)-cycloocta-1,5-diene);bis(1-(pyrazol-1-ylmethyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide);bis(rhodium);bis(tetraphenylboranuide)

C96H100B2N8Rh2-2 — CID 139149879

About bis((1Z,5Z)-cycloocta-1,5-diene);bis(1-(pyrazol-1-ylmethyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide);bis(rhodium);bis(tetraphenylboranuide)

bis((1Z,5Z)-cycloocta-1,5-diene);bis(1-(pyrazol-1-ylmethyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide);bis(rhodium);bis(tetraphenylboranuide) (PubChem CID 139149879) has the molecular formula C96H100B2N8Rh2-2 and a molecular weight of 1593.35 g/mol. Its IUPAC name is bis((1Z,5Z)-cycloocta-1,5-diene);bis(1-(pyrazol-1-ylmethyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide);bis(rhodium);bis(tetraphenylboranuide).

Molecular Properties

• Compound Name: bis((1Z,5Z)-cycloocta-1,5-diene);bis(1-(pyrazol-1-ylmethyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide);bis(rhodium);bis(tetraphenylboranuide)
• PubChem CID: 139149879
• Molecular Formula: C96H100B2N8Rh2-2
• Molecular Weight: 1593.35 g/mol
• Exact Mass: 1592.64
• IUPAC Name: bis((1Z,5Z)-cycloocta-1,5-diene);bis(1-(pyrazol-1-ylmethyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide);bis(rhodium);bis(tetraphenylboranuide)
• SMILES: C1=C\CC/C=C\CC/1.C1=C\CC/C=C\CC/1.Cc1cc(C)c(-[n+]2[c-]n(Cn3cccn3)cc2)c(C)c1.Cc1cc(C)c(-[n+]2[c-]n(Cn3cccn3)cc2)c(C)c1.[Rh].[Rh].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C24H20B.2C16H18N4.2C8H12.2Rh/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-13-9-14(2)16(15(3)10-13)19-8-7-18(11-19)12-20-6-4-5-17-20;2*1-2-4-6-8-7-5-3-1;;/h2*1-20H;2*4-10H,12H2,1-3H3;2*1-2,7-8H,3-6H2;;/q2*-1;;;;;;/b;;;;2*2-1-,8-7-
• InChIKey: ZJXOINYPYPSBNI-XIMMSGNRSA-N
• XLogP: 15.85
• TPSA: 53.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1593.35
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis((1Z,5Z)-cycloocta-1,5-diene);bis(1-(pyrazol-1-ylmethyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide);bis(rhodium);bis(tetraphenylboranuide)?

The IUPAC name of bis((1Z,5Z)-cycloocta-1,5-diene);bis(1-(pyrazol-1-ylmethyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide);bis(rhodium);bis(tetraphenylboranuide) (CID 139149879) is bis((1Z,5Z)-cycloocta-1,5-diene);bis(1-(pyrazol-1-ylmethyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide);bis(rhodium);bis(tetraphenylboranuide).

What is the SMILES notation for bis((1Z,5Z)-cycloocta-1,5-diene);bis(1-(pyrazol-1-ylmethyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide);bis(rhodium);bis(tetraphenylboranuide)?

The canonical SMILES for bis((1Z,5Z)-cycloocta-1,5-diene);bis(1-(pyrazol-1-ylmethyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide);bis(rhodium);bis(tetraphenylboranuide) is C1=C\CC/C=C\CC/1.C1=C\CC/C=C\CC/1.Cc1cc(C)c(-[n+]2[c-]n(Cn3cccn3)cc2)c(C)c1.Cc1cc(C)c(-[n+]2[c-]n(Cn3cccn3)cc2)c(C)c1.[Rh].[Rh].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis((1Z,5Z)-cycloocta-1,5-diene);bis(1-(pyrazol-1-ylmethyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide);bis(rhodium);bis(tetraphenylboranuide)?

The InChIKey is ZJXOINYPYPSBNI-XIMMSGNRSA-N. The full InChI is InChI=1S/2C24H20B.2C16H18N4.2C8H12.2Rh/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-13-9-14(2)16(15(3)10-13)19-8-7-18(11-19)12-20-6-4-5-17-20;2*1-2-4-6-8-7-5-3-1;;/h2*1-20H;2*4-10H,12H2,1-3H3;2*1-2,7-8H,3-6H2;;/q2*-1;;;;;;/b;;;;2*2-1-,8-7-;;.

What are the key properties of bis((1Z,5Z)-cycloocta-1,5-diene);bis(1-(pyrazol-1-ylmethyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide);bis(rhodium);bis(tetraphenylboranuide)?

bis((1Z,5Z)-cycloocta-1,5-diene);bis(1-(pyrazol-1-ylmethyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide);bis(rhodium);bis(tetraphenylboranuide) has a molecular weight of 1593.35 g/mol, XLogP of 15.85, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis((1Z,5Z)-cycloocta-1,5-diene);bis(1-(pyrazol-1-ylmethyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide);bis(rhodium);bis(tetraphenylboranuide) is sourced from PubChem (CID 139149879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).