bis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride

C28H34Cl2N2P2 — CID 173375267

IUPACbis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride
SMILESCl.Cl.[H]N=P(CC)(c1ccccc1)c1ccccc1.[H]N=P(CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C14H16NP.2ClH/c2*1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;/h2*3-12,15H,2H2,1H3;2*1H
InChIKeyAYCVHHLFEHNQNI-UHFFFAOYSA-N
MW531.45 g/mol
LogP7.72
Rot. Bonds6

About bis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride

bis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride (PubChem CID 173375267) has the molecular formula C28H34Cl2N2P2 and a molecular weight of 531.45 g/mol. Its IUPAC name is bis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride.

Molecular Properties

Compound Namebis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride
PubChem CID173375267
Molecular FormulaC28H34Cl2N2P2
Molecular Weight531.45 g/mol
Exact Mass530.16
IUPAC Namebis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride
SMILESCl.Cl.[H]N=P(CC)(c1ccccc1)c1ccccc1.[H]N=P(CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C14H16NP.2ClH/c2*1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;/h2*3-12,15H,2H2,1H3;2*1H
InChIKeyAYCVHHLFEHNQNI-UHFFFAOYSA-N
XLogP7.72
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.45
LogP ≤ 57.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride?
The IUPAC name of bis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride (CID 173375267) is bis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride.
What is the SMILES notation for bis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride?
The canonical SMILES for bis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride is Cl.Cl.[H]N=P(CC)(c1ccccc1)c1ccccc1.[H]N=P(CC)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride?
The InChIKey is AYCVHHLFEHNQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16NP.2ClH/c2*1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;/h2*3-12,15H,2H2,1H3;2*1H.
What are the key properties of bis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride?
bis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride has a molecular weight of 531.45 g/mol, XLogP of 7.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride is sourced from PubChem (CID 173375267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).