(1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane

C28H27ClP2 — CID 87672181

IUPAC(1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane
SMILESCCCC(Cl)(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27ClP2/c1-2-23-28(29,30(24-15-7-3-8-16-24)25-17-9-4-10-18-25)31(26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,2,23H2,1H3
InChIKeyOJMSGGKFNCBLCW-UHFFFAOYSA-N
MW460.93 g/mol
LogP6.94
Rot. Bonds8

About (1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane

(1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane (PubChem CID 87672181) has the molecular formula C28H27ClP2 and a molecular weight of 460.93 g/mol. Its IUPAC name is (1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane.

Molecular Properties

Compound Name(1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane
PubChem CID87672181
Molecular FormulaC28H27ClP2
Molecular Weight460.93 g/mol
Exact Mass460.13
IUPAC Name(1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane
SMILESCCCC(Cl)(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27ClP2/c1-2-23-28(29,30(24-15-7-3-8-16-24)25-17-9-4-10-18-25)31(26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,2,23H2,1H3
InChIKeyOJMSGGKFNCBLCW-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.93
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-diphenylphosphanyl-2-methylpentanoic acid
CID 174669720
3-methylpentan-3-yl(diphenyl)phosphane
CID 23414394
(1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane
CID 87259750
butane;triphenylphosphane
CID 161447439
2,2-dimethylhexyl(diphenyl)phosphane
CID 143507399
ethyl(diphenyl)phosphane;trichlororuthenium
CID 159343437
dichloronickel;bis(diphenyl(propyl)phosphane)
CID 87129784
dichloroiron;diphenyl(propyl)phosphane
CID 175149268
1-chloro-1-phenylbutan-1-amine
CID 174514762
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)
CID 131716311
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;palladium
CID 175711479

Frequently Asked Questions

What is the IUPAC name of (1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane?
The IUPAC name of (1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane (CID 87672181) is (1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane.
What is the SMILES notation for (1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane?
The canonical SMILES for (1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane is CCCC(Cl)(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane?
The InChIKey is OJMSGGKFNCBLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClP2/c1-2-23-28(29,30(24-15-7-3-8-16-24)25-17-9-4-10-18-25)31(26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,2,23H2,1H3.
What are the key properties of (1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane?
(1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane has a molecular weight of 460.93 g/mol, XLogP of 6.94, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane is sourced from PubChem (CID 87672181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).