1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane

C27H26P2 — CID 3640685

IUPAC1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane
SMILESCC(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26P2/c1-23(29(26-18-10-4-11-19-26)27-20-12-5-13-21-27)22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h2-21,23H,22H2,1H3
InChIKeyWGOBPPNNYVSJTE-UHFFFAOYSA-N
MW412.45 g/mol
LogP5.64
Rot. Bonds7

About 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane

1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane (PubChem CID 3640685) has the molecular formula C27H26P2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane.

Molecular Properties

Compound Name1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane
PubChem CID3640685
Molecular FormulaC27H26P2
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane
SMILESCC(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26P2/c1-23(29(26-18-10-4-11-19-26)27-20-12-5-13-21-27)22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h2-21,23H,22H2,1H3
InChIKeyWGOBPPNNYVSJTE-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.64
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

Triphenylphosphine
CID 11776
Sodium Tetraphenylborate
CID 2723787
Benzyltriphenylphosphonium chloride
CID 70671
Methyltriphenyliphosphonium bromide
CID 74505
Tetraphenylphosphonium
CID 164912
Tetrakis(triphenylphosphine)palladium
CID 11979704
Tetraphenyltin
CID 61146
Tetraphenyllead
CID 72906
Stryker's reagent
CID 11982471
Tetraphenylantimony Bromide
CID 88914
Butyltriphenylphosphonium bromide
CID 159628
Phosphonium, ethyltriphenyl-, bromide (1:1)
CID 73727

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane?
The IUPAC name of 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane (CID 3640685) is 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane.
What is the SMILES notation for 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane?
The canonical SMILES for 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane is CC(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane?
The InChIKey is WGOBPPNNYVSJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26P2/c1-23(29(26-18-10-4-11-19-26)27-20-12-5-13-21-27)22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h2-21,23H,22H2,1H3.
What are the key properties of 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane?
1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane has a molecular weight of 412.45 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane is sourced from PubChem (CID 3640685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).