CID 16726510

C45H54BF4P2Rh- — CID 16726510

IUPAC—
SMILESC[C@H](C[C@@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.F[B-](F)(F)F.[CH]1[CH]CC[CH][CH]CC1.[CH]1[CH]CC[CH][CH]CC1.[Rh]
InChIInChI=1S/C29H30P2.2C8H12.BF4.Rh/c1-24(30(26-15-7-3-8-16-26)27-17-9-4-10-18-27)23-25(2)31(28-19-11-5-12-20-28)29-21-13-6-14-22-29;2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h3-22,24-25H,23H2,1-2H3;2*1-2,7-8H,3-6H2;;/q;;;-1;/t24-,25-;;;;/m1..../s1
InChIKeyJXFPYDJQFDNCCP-RVLGAGCASA-N
MW846.58 g/mol
LogP12.47
Rot. Bonds8

About CID 16726510

CID 16726510 (PubChem CID 16726510) has the molecular formula C45H54BF4P2Rh- and a molecular weight of 846.58 g/mol.

Molecular Properties

Compound NameCID 16726510
PubChem CID16726510
Molecular FormulaC45H54BF4P2Rh-
Molecular Weight846.58 g/mol
Exact Mass846.28
IUPAC Name—
SMILESC[C@H](C[C@@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.F[B-](F)(F)F.[CH]1[CH]CC[CH][CH]CC1.[CH]1[CH]CC[CH][CH]CC1.[Rh]
InChIInChI=1S/C29H30P2.2C8H12.BF4.Rh/c1-24(30(26-15-7-3-8-16-26)27-17-9-4-10-18-27)23-25(2)31(28-19-11-5-12-20-28)29-21-13-6-14-22-29;2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h3-22,24-25H,23H2,1-2H3;2*1-2,7-8H,3-6H2;;/q;;;-1;/t24-,25-;;;;/m1..../s1
InChIKeyJXFPYDJQFDNCCP-RVLGAGCASA-N
XLogP12.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.58
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 16726510 with MolForge

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

Launch Full Analysis

Related Compounds

bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268
[(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium
CID 11016754
CID 11593030
CID 11593030
2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine
CID 76790534
[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
lithium 4-diphenylphosphanylpentan-2-yl sulfate
CID 74085086
(4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane
CID 134285768
cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate
CID 11592885
octan-2-yl(diphenyl)phosphane
CID 18359504
tris(triphenylphosphane);tetrafluoroborate
CID 175134442
chloro-phenyl-propan-2-ylphosphane
CID 10867074

Frequently Asked Questions

What is the IUPAC name of CID 16726510?
The IUPAC name of CID 16726510 (CID 16726510) is not available.
What is the SMILES notation for CID 16726510?
The canonical SMILES for CID 16726510 is C[C@H](C[C@@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.F[B-](F)(F)F.[CH]1[CH]CC[CH][CH]CC1.[CH]1[CH]CC[CH][CH]CC1.[Rh].
What is the InChIKey of CID 16726510?
The InChIKey is JXFPYDJQFDNCCP-RVLGAGCASA-N. The full InChI is InChI=1S/C29H30P2.2C8H12.BF4.Rh/c1-24(30(26-15-7-3-8-16-26)27-17-9-4-10-18-27)23-25(2)31(28-19-11-5-12-20-28)29-21-13-6-14-22-29;2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h3-22,24-25H,23H2,1-2H3;2*1-2,7-8H,3-6H2;;/q;;;-1;/t24-,25-;;;;/m1..../s1.
What are the key properties of CID 16726510?
CID 16726510 has a molecular weight of 846.58 g/mol, XLogP of 12.47, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16726510 is sourced from PubChem (CID 16726510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).