3-diphenylphosphanylbutan-2-yl(diphenyl)phosphane

C28H28P2 — CID 3882352

IUPAC3-diphenylphosphanylbutan-2-yl(diphenyl)phosphane
SMILESCC(C(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28P2/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24H,1-2H3
InChIKeyFWXAUDSWDBGCMN-UHFFFAOYSA-N
MW426.48 g/mol
LogP6.03
Rot. Bonds7

About 3-diphenylphosphanylbutan-2-yl(diphenyl)phosphane

3-diphenylphosphanylbutan-2-yl(diphenyl)phosphane (PubChem CID 3882352) has the molecular formula C28H28P2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 3-diphenylphosphanylbutan-2-yl(diphenyl)phosphane.

Molecular Properties

Compound Name3-diphenylphosphanylbutan-2-yl(diphenyl)phosphane
PubChem CID3882352
Molecular FormulaC28H28P2
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name3-diphenylphosphanylbutan-2-yl(diphenyl)phosphane
SMILESCC(C(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28P2/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24H,1-2H3
InChIKeyFWXAUDSWDBGCMN-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 56.03
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 3-diphenylphosphanylbutan-2-yl(diphenyl)phosphane?
The IUPAC name of 3-diphenylphosphanylbutan-2-yl(diphenyl)phosphane (CID 3882352) is 3-diphenylphosphanylbutan-2-yl(diphenyl)phosphane.
What is the SMILES notation for 3-diphenylphosphanylbutan-2-yl(diphenyl)phosphane?
The canonical SMILES for 3-diphenylphosphanylbutan-2-yl(diphenyl)phosphane is CC(C(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphanylbutan-2-yl(diphenyl)phosphane?
The InChIKey is FWXAUDSWDBGCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28P2/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24H,1-2H3.
What are the key properties of 3-diphenylphosphanylbutan-2-yl(diphenyl)phosphane?
3-diphenylphosphanylbutan-2-yl(diphenyl)phosphane has a molecular weight of 426.48 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphanylbutan-2-yl(diphenyl)phosphane is sourced from PubChem (CID 3882352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).