(4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane

C30H32P2 — CID 134285768

IUPAC(4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane
SMILESCC(CC(C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32P2/c1-25(31(26-16-8-4-9-17-26)27-18-10-5-11-19-27)24-30(2,3)32(28-20-12-6-13-21-28)29-22-14-7-15-23-29/h4-23,25H,24H2,1-3H3
InChIKeyVSSXOWKKQQDGGO-UHFFFAOYSA-N
MW454.53 g/mol
LogP6.81
Rot. Bonds8

About (4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane

(4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane (PubChem CID 134285768) has the molecular formula C30H32P2 and a molecular weight of 454.53 g/mol. Its IUPAC name is (4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane.

Molecular Properties

Compound Name(4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane
PubChem CID134285768
Molecular FormulaC30H32P2
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name(4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane
SMILESCC(CC(C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32P2/c1-25(31(26-16-8-4-9-17-26)27-18-10-5-11-19-27)24-30(2,3)32(28-20-12-6-13-21-28)29-22-14-7-15-23-29/h4-23,25H,24H2,1-3H3
InChIKeyVSSXOWKKQQDGGO-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268
2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine
CID 76790534
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
[3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane
CID 22672805
(1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel
CID 87282083
[(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium
CID 11016754
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
3-methylpentan-3-yl(diphenyl)phosphane
CID 23414394
octan-2-yl(diphenyl)phosphane
CID 18359504
1-diphenylphosphanylethanesulfonamide
CID 174898207
1-diphenylphosphanylethane-1,1-diol
CID 151023834

Frequently Asked Questions

What is the IUPAC name of (4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane?
The IUPAC name of (4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane (CID 134285768) is (4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane.
What is the SMILES notation for (4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane?
The canonical SMILES for (4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane is CC(CC(C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane?
The InChIKey is VSSXOWKKQQDGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32P2/c1-25(31(26-16-8-4-9-17-26)27-18-10-5-11-19-27)24-30(2,3)32(28-20-12-6-13-21-28)29-22-14-7-15-23-29/h4-23,25H,24H2,1-3H3.
What are the key properties of (4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane?
(4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane has a molecular weight of 454.53 g/mol, XLogP of 6.81, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane is sourced from PubChem (CID 134285768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).