cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate

C36H40BF4P2Rh- — CID 11592885

IUPACcycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate
SMILESC1=CCCC=CCC1.F[B-](F)(F)F.[Rh].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28P2.C8H12.BF4.Rh/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-12,15-22H,13-14,23-24H2;1-2,7-8H,3-6H2;;/q;;-1;
InChIKeyCMOFFTCAXGHJOA-UHFFFAOYSA-N
MW724.37 g/mol
LogP10.00
Rot. Bonds9

About cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate

cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate (PubChem CID 11592885) has the molecular formula C36H40BF4P2Rh- and a molecular weight of 724.37 g/mol. Its IUPAC name is cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate.

Molecular Properties

Compound Namecycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate
PubChem CID11592885
Molecular FormulaC36H40BF4P2Rh-
Molecular Weight724.37 g/mol
Exact Mass724.17
IUPAC Namecycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate
SMILESC1=CCCC=CCC1.F[B-](F)(F)F.[Rh].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28P2.C8H12.BF4.Rh/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-12,15-22H,13-14,23-24H2;1-2,7-8H,3-6H2;;/q;;-1;
InChIKeyCMOFFTCAXGHJOA-UHFFFAOYSA-N
XLogP10.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.37
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate?
The IUPAC name of cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate (CID 11592885) is cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate.
What is the SMILES notation for cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate?
The canonical SMILES for cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate is C1=CCCC=CCC1.F[B-](F)(F)F.[Rh].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate?
The InChIKey is CMOFFTCAXGHJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28P2.C8H12.BF4.Rh/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-12,15-22H,13-14,23-24H2;1-2,7-8H,3-6H2;;/q;;-1;.
What are the key properties of cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate?
cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate has a molecular weight of 724.37 g/mol, XLogP of 10.00, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate is sourced from PubChem (CID 11592885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).