(1Z,5Z)-cycloocta-1,5-diene;diphenyl-[[(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane;rhodium;tetrafluoroborate

C35H42BF4NOPRh- — CID 11083087

About (1Z,5Z)-cycloocta-1,5-diene;diphenyl-[[(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane;rhodium;tetrafluoroborate

(1Z,5Z)-cycloocta-1,5-diene;diphenyl-[[(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane;rhodium;tetrafluoroborate (PubChem CID 11083087) has the molecular formula C35H42BF4NOPRh- and a molecular weight of 713.41 g/mol. Its IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;diphenyl-[[(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane;rhodium;tetrafluoroborate.

Molecular Properties

• Compound Name: (1Z,5Z)-cycloocta-1,5-diene;diphenyl-[[(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane;rhodium;tetrafluoroborate
• PubChem CID: 11083087
• Molecular Formula: C35H42BF4NOPRh-
• Molecular Weight: 713.41 g/mol
• Exact Mass: 713.21
• IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene;diphenyl-[[(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane;rhodium;tetrafluoroborate
• SMILES: C1=C\CC/C=C\CC/1.CC1(C)[C@@H]2CC[C@@]1(C)[C@@](OP(c1ccccc1)c1ccccc1)(c1ccccn1)C2.F[B-](F)(F)F.[Rh]
• InChI: InChI=1S/C27H30NOP.C8H12.BF4.Rh/c1-25(2)21-17-18-26(25,3)27(20-21,24-16-10-11-19-28-24)29-30(22-12-6-4-7-13-22)23-14-8-5-9-15-23;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h4-16,19,21H,17-18,20H2,1-3H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t21-,26-,27+;;;/m1.../s1
• InChIKey: IZQMCHUAECILOH-RNARNVKSSA-N
• XLogP: 10.16
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.41
LogP ≤ 5	10.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;diphenyl-[[(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane;rhodium;tetrafluoroborate?

The IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;diphenyl-[[(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane;rhodium;tetrafluoroborate (CID 11083087) is (1Z,5Z)-cycloocta-1,5-diene;diphenyl-[[(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane;rhodium;tetrafluoroborate.

What is the SMILES notation for (1Z,5Z)-cycloocta-1,5-diene;diphenyl-[[(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane;rhodium;tetrafluoroborate?

The canonical SMILES for (1Z,5Z)-cycloocta-1,5-diene;diphenyl-[[(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane;rhodium;tetrafluoroborate is C1=C\CC/C=C\CC/1.CC1(C)[C@@H]2CC[C@@]1(C)[C@@](OP(c1ccccc1)c1ccccc1)(c1ccccn1)C2.F[B-](F)(F)F.[Rh].

What is the InChIKey of (1Z,5Z)-cycloocta-1,5-diene;diphenyl-[[(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane;rhodium;tetrafluoroborate?

The InChIKey is IZQMCHUAECILOH-RNARNVKSSA-N. The full InChI is InChI=1S/C27H30NOP.C8H12.BF4.Rh/c1-25(2)21-17-18-26(25,3)27(20-21,24-16-10-11-19-28-24)29-30(22-12-6-4-7-13-22)23-14-8-5-9-15-23;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h4-16,19,21H,17-18,20H2,1-3H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t21-,26-,27+;;;/m1.../s1.

What are the key properties of (1Z,5Z)-cycloocta-1,5-diene;diphenyl-[[(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane;rhodium;tetrafluoroborate?

(1Z,5Z)-cycloocta-1,5-diene;diphenyl-[[(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane;rhodium;tetrafluoroborate has a molecular weight of 713.41 g/mol, XLogP of 10.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z,5Z)-cycloocta-1,5-diene;diphenyl-[[(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane;rhodium;tetrafluoroborate is sourced from PubChem (CID 11083087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).