(R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine

C36H44FeP2 — CID 146157439

IUPAC—
SMILESCC([C]1[CH][CH][CH][C]1P(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C31H39P2.C5H5.Fe/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29;1-2-4-5-3-1;/h2-3,6-9,14-18,23-25,28-29H,4-5,10-13,19-22H2,1H3;1-5H;
InChIKeyAWOOIDCKLIQAJV-UHFFFAOYSA-N
MW594.54 g/mol
LogP9.41
Rot. Bonds7

About (R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine

(R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine (PubChem CID 146157439) has the molecular formula C36H44FeP2 and a molecular weight of 594.54 g/mol.

Molecular Properties

Compound Name(R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine
PubChem CID146157439
Molecular FormulaC36H44FeP2
Molecular Weight594.54 g/mol
Exact Mass594.23
IUPAC Name—
SMILESCC([C]1[CH][CH][CH][C]1P(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C31H39P2.C5H5.Fe/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29;1-2-4-5-3-1;/h2-3,6-9,14-18,23-25,28-29H,4-5,10-13,19-22H2,1H3;1-5H;
InChIKeyAWOOIDCKLIQAJV-UHFFFAOYSA-N
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.54
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine?
The IUPAC name of (R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine (CID 146157439) is not available.
What is the SMILES notation for (R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine?
The canonical SMILES for (R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine is CC([C]1[CH][CH][CH][C]1P(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe].
What is the InChIKey of (R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine?
The InChIKey is AWOOIDCKLIQAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39P2.C5H5.Fe/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29;1-2-4-5-3-1;/h2-3,6-9,14-18,23-25,28-29H,4-5,10-13,19-22H2,1H3;1-5H;.
What are the key properties of (R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine?
(R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine has a molecular weight of 594.54 g/mol, XLogP of 9.41, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine is sourced from PubChem (CID 146157439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).