6-diphenylphosphanylhexyl(diphenyl)phosphane

C30H32P2 — CID 2754312

IUPAC6-diphenylphosphanylhexyl(diphenyl)phosphane
SMILESc1ccc(P(CCCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H32P2/c1(15-25-31(27-17-7-3-8-18-27)28-19-9-4-10-20-28)2-16-26-32(29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2
InChIKeyGPORFKPYXATYNX-UHFFFAOYSA-N
MW454.53 g/mol
LogP6.81
Rot. Bonds11

About 6-diphenylphosphanylhexyl(diphenyl)phosphane

6-diphenylphosphanylhexyl(diphenyl)phosphane (PubChem CID 2754312) has the molecular formula C30H32P2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 6-diphenylphosphanylhexyl(diphenyl)phosphane.

Molecular Properties

Compound Name6-diphenylphosphanylhexyl(diphenyl)phosphane
PubChem CID2754312
Molecular FormulaC30H32P2
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name6-diphenylphosphanylhexyl(diphenyl)phosphane
SMILESc1ccc(P(CCCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H32P2/c1(15-25-31(27-17-7-3-8-18-27)28-19-9-4-10-20-28)2-16-26-32(29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2
InChIKeyGPORFKPYXATYNX-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
Bis(triphenylphosphine)dicarbonylnickel
CID 16211556
Stryker's reagent
CID 11982471
Tetraphenylantimony Bromide
CID 88914
Butyltriphenylphosphonium bromide
CID 159628

Frequently Asked Questions

What is the IUPAC name of 6-diphenylphosphanylhexyl(diphenyl)phosphane?
The IUPAC name of 6-diphenylphosphanylhexyl(diphenyl)phosphane (CID 2754312) is 6-diphenylphosphanylhexyl(diphenyl)phosphane.
What is the SMILES notation for 6-diphenylphosphanylhexyl(diphenyl)phosphane?
The canonical SMILES for 6-diphenylphosphanylhexyl(diphenyl)phosphane is c1ccc(P(CCCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 6-diphenylphosphanylhexyl(diphenyl)phosphane?
The InChIKey is GPORFKPYXATYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32P2/c1(15-25-31(27-17-7-3-8-18-27)28-19-9-4-10-20-28)2-16-26-32(29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2.
What are the key properties of 6-diphenylphosphanylhexyl(diphenyl)phosphane?
6-diphenylphosphanylhexyl(diphenyl)phosphane has a molecular weight of 454.53 g/mol, XLogP of 6.81, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diphenylphosphanylhexyl(diphenyl)phosphane is sourced from PubChem (CID 2754312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).