[(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane

C29H30P2 — CID 2734567

IUPAC[(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane
SMILESC[C@@H](C[C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30P2/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/h3-22,24-25H,23H2,1-2H3/t24-,25-/m0/s1
InChIKeyCTYPJIUQROQJBG-DQEYMECFSA-N
MW440.51 g/mol
LogP6.42
Rot. Bonds8

About [(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane

[(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane (PubChem CID 2734567) has the molecular formula C29H30P2 and a molecular weight of 440.51 g/mol. Its IUPAC name is [(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane
PubChem CID2734567
Molecular FormulaC29H30P2
Molecular Weight440.51 g/mol
Exact Mass440.18
IUPAC Name[(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane
SMILESC[C@@H](C[C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30P2/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/h3-22,24-25H,23H2,1-2H3/t24-,25-/m0/s1
InChIKeyCTYPJIUQROQJBG-DQEYMECFSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 56.42
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 11776
CID 11776
CID 2723787
CID 2723787
CID 70671
CID 70671
CID 74505
CID 74505
CID 164912
CID 164912
CID 11979704
CID 11979704
CID 61146
CID 61146
CID 72906
CID 72906
CID 11982471
CID 11982471
CID 88914
CID 88914
CID 159628
CID 159628
CID 73727
CID 73727

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane?
The IUPAC name of [(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane (CID 2734567) is [(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane.
What is the SMILES notation for [(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane?
The canonical SMILES for [(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane is C[C@@H](C[C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane?
The InChIKey is CTYPJIUQROQJBG-DQEYMECFSA-N. The full InChI is InChI=1S/C29H30P2/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/h3-22,24-25H,23H2,1-2H3/t24-,25-/m0/s1.
What are the key properties of [(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane?
[(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane has a molecular weight of 440.51 g/mol, XLogP of 6.42, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane is sourced from PubChem (CID 2734567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).