bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide

C58H60I4Ir2P4-4 — CID 11446268

IUPACbis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
SMILESC[C@@H](C[C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.C[C@@H](C[C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[I-].[I-].[I-].[I-].[Ir].[Ir]
InChIInChI=1S/2C29H30P2.4HI.2Ir/c2*1-24(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;;;;;;/h2*3-22,24-25H,23H2,1-2H3;4*1H;;/p-4/t2*24-,25-;;;;;;/m00....../s1
InChIKeyZGWKYQVBEQQUEB-LOCAPEFLSA-J
MW1773.06 g/mol
LogP0.85
Rot. Bonds16

About bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide

bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide (PubChem CID 11446268) has the molecular formula C58H60I4Ir2P4-4 and a molecular weight of 1773.06 g/mol. Its IUPAC name is bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide.

Molecular Properties

Compound Namebis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
PubChem CID11446268
Molecular FormulaC58H60I4Ir2P4-4
Molecular Weight1773.06 g/mol
Exact Mass1773.91
IUPAC Namebis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
SMILESC[C@@H](C[C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.C[C@@H](C[C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[I-].[I-].[I-].[I-].[Ir].[Ir]
InChIInChI=1S/2C29H30P2.4HI.2Ir/c2*1-24(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;;;;;;/h2*3-22,24-25H,23H2,1-2H3;4*1H;;/p-4/t2*24-,25-;;;;;;/m00....../s1
InChIKeyZGWKYQVBEQQUEB-LOCAPEFLSA-J
XLogP0.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001773.06
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide 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

[(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium
CID 11016754
CID 16726510
CID 16726510
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
octan-2-yl(diphenyl)phosphane
CID 18359504
butan-2-yl(diphenyl)phosphane;diphenylphosphanide;palladium(2+);chloride
CID 52987630
N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine
CID 87094669
diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane
CID 10898452
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946

Frequently Asked Questions

What is the IUPAC name of bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide?
The IUPAC name of bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide (CID 11446268) is bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide.
What is the SMILES notation for bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide?
The canonical SMILES for bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide is C[C@@H](C[C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.C[C@@H](C[C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[I-].[I-].[I-].[I-].[Ir].[Ir].
What is the InChIKey of bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide?
The InChIKey is ZGWKYQVBEQQUEB-LOCAPEFLSA-J. The full InChI is InChI=1S/2C29H30P2.4HI.2Ir/c2*1-24(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;;;;;;/h2*3-22,24-25H,23H2,1-2H3;4*1H;;/p-4/t2*24-,25-;;;;;;/m00....../s1.
What are the key properties of bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide?
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide has a molecular weight of 1773.06 g/mol, XLogP of 0.85, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide is sourced from PubChem (CID 11446268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).