diphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane

C25H28P2 — CID 91490577

IUPACdiphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane
SMILESCC(CC1CCC[P@]1c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28P2/c1-21(20-25-18-11-19-26(25)22-12-5-2-6-13-22)27(23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-10,12-17,21,25H,11,18-20H2,1H3/t21?,25?,26-/m1/s1
InChIKeyTWURHDRXXVLJKU-HFYIDVTOSA-N
MW390.45 g/mol
LogP5.87
Rot. Bonds6

About diphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane

diphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane (PubChem CID 91490577) has the molecular formula C25H28P2 and a molecular weight of 390.45 g/mol. Its IUPAC name is diphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane
PubChem CID91490577
Molecular FormulaC25H28P2
Molecular Weight390.45 g/mol
Exact Mass390.17
IUPAC Namediphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane
SMILESCC(CC1CCC[P@]1c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28P2/c1-21(20-25-18-11-19-26(25)22-12-5-2-6-13-22)27(23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-10,12-17,21,25H,11,18-20H2,1H3/t21?,25?,26-/m1/s1
InChIKeyTWURHDRXXVLJKU-HFYIDVTOSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 159916360
CID 159916360
CID 173497582
CID 173497582
2-(1-phenylphospholan-2-yl)ethanol
CID 87485021
1-[2-(1-diphenylphosphanylethyl)cyclopentyl]ethyl-diphenylphosphane
CID 23403232
trimethyl-(1-phenylphospholan-2-yl)stannane
CID 177488803
trimethyl-[(2R)-1-phenylphospholan-2-yl]stannane
CID 177447932
bis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane
CID 58698004
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268
2-[(1S,2R)-1-methylphospholan-2-yl]ethyl-diphenylphosphane
CID 44609097
2-(2-chloropropan-2-yl)-1-phenylphospholane
CID 91482141
[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539
2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine
CID 76790534

Frequently Asked Questions

What is the IUPAC name of diphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane?
The IUPAC name of diphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane (CID 91490577) is diphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane.
What is the SMILES notation for diphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane?
The canonical SMILES for diphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane is CC(CC1CCC[P@]1c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane?
The InChIKey is TWURHDRXXVLJKU-HFYIDVTOSA-N. The full InChI is InChI=1S/C25H28P2/c1-21(20-25-18-11-19-26(25)22-12-5-2-6-13-22)27(23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-10,12-17,21,25H,11,18-20H2,1H3/t21?,25?,26-/m1/s1.
What are the key properties of diphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane?
diphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane has a molecular weight of 390.45 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane is sourced from PubChem (CID 91490577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).