bis(2-diphenylphosphanylethyl)azanide;iron

C28H28FeNP2- — CID 175907105

IUPACbis(2-diphenylphosphanylethyl)azanide;iron
SMILES[Fe].c1ccc(P(CC[N-]CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28NP2.Fe/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;/h1-20H,21-24H2;/q-1;
InChIKeyDLZQHMCTBUHAPH-UHFFFAOYSA-N
MW496.33 g/mol
LogP5.62
Rot. Bonds10

About bis(2-diphenylphosphanylethyl)azanide;iron

bis(2-diphenylphosphanylethyl)azanide;iron (PubChem CID 175907105) has the molecular formula C28H28FeNP2- and a molecular weight of 496.33 g/mol. Its IUPAC name is bis(2-diphenylphosphanylethyl)azanide;iron.

Molecular Properties

Compound Namebis(2-diphenylphosphanylethyl)azanide;iron
PubChem CID175907105
Molecular FormulaC28H28FeNP2-
Molecular Weight496.33 g/mol
Exact Mass496.11
IUPAC Namebis(2-diphenylphosphanylethyl)azanide;iron
SMILES[Fe].c1ccc(P(CC[N-]CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28NP2.Fe/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;/h1-20H,21-24H2;/q-1;
InChIKeyDLZQHMCTBUHAPH-UHFFFAOYSA-N
XLogP5.62
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.33
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
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chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
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diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
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CID 13086823
CID 13086823
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
CID 11981349
2-diphenylphosphanylethylazanium;trifluoroborane;fluoride
CID 163196589
cycloocta-1,5-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;iridium
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2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium
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Frequently Asked Questions

What is the IUPAC name of bis(2-diphenylphosphanylethyl)azanide;iron?
The IUPAC name of bis(2-diphenylphosphanylethyl)azanide;iron (CID 175907105) is bis(2-diphenylphosphanylethyl)azanide;iron.
What is the SMILES notation for bis(2-diphenylphosphanylethyl)azanide;iron?
The canonical SMILES for bis(2-diphenylphosphanylethyl)azanide;iron is [Fe].c1ccc(P(CC[N-]CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(2-diphenylphosphanylethyl)azanide;iron?
The InChIKey is DLZQHMCTBUHAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28NP2.Fe/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;/h1-20H,21-24H2;/q-1;.
What are the key properties of bis(2-diphenylphosphanylethyl)azanide;iron?
bis(2-diphenylphosphanylethyl)azanide;iron has a molecular weight of 496.33 g/mol, XLogP of 5.62, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-diphenylphosphanylethyl)azanide;iron is sourced from PubChem (CID 175907105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).