N,N,N',N'-tetrakis(diphenylphosphinoselenoyl)ethane-1,2-diamine

C50H44N2P4Se4 — CID 102285929

IUPACN,N,N',N'-tetrakis(diphenylphosphinoselenoyl)ethane-1,2-diamine
SMILES[Se]=P(c1ccccc1)(c1ccccc1)N(CCN(P(=[Se])(c1ccccc1)c1ccccc1)P(=[Se])(c1ccccc1)c1ccccc1)P(=[Se])(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H44N2P4Se4/c57-53(43-25-9-1-10-26-43,44-27-11-2-12-28-44)51(54(58,45-29-13-3-14-30-45)46-31-15-4-16-32-46)41-42-52(55(59,47-33-17-5-18-34-47)48-35-19-6-20-36-48)56(60,49-37-21-7-22-38-49)50-39-23-8-24-40-50/h1-40H,41-42H2
InChIKeyPZONWDMYFBJXCG-UHFFFAOYSA-N
MW1112.65 g/mol
LogP8.26
Rot. Bonds15

About N,N,N',N'-tetrakis(diphenylphosphinoselenoyl)ethane-1,2-diamine

N,N,N',N'-tetrakis(diphenylphosphinoselenoyl)ethane-1,2-diamine (PubChem CID 102285929) has the molecular formula C50H44N2P4Se4 and a molecular weight of 1112.65 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(diphenylphosphinoselenoyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(diphenylphosphinoselenoyl)ethane-1,2-diamine
PubChem CID102285929
Molecular FormulaC50H44N2P4Se4
Molecular Weight1112.65 g/mol
Exact Mass1115.91
IUPAC NameN,N,N',N'-tetrakis(diphenylphosphinoselenoyl)ethane-1,2-diamine
SMILES[Se]=P(c1ccccc1)(c1ccccc1)N(CCN(P(=[Se])(c1ccccc1)c1ccccc1)P(=[Se])(c1ccccc1)c1ccccc1)P(=[Se])(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H44N2P4Se4/c57-53(43-25-9-1-10-26-43,44-27-11-2-12-28-44)51(54(58,45-29-13-3-14-30-45)46-31-15-4-16-32-46)41-42-52(55(59,47-33-17-5-18-34-47)48-35-19-6-20-36-48)56(60,49-37-21-7-22-38-49)50-39-23-8-24-40-50/h1-40H,41-42H2
InChIKeyPZONWDMYFBJXCG-UHFFFAOYSA-N
XLogP8.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001112.65
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N,N,N',N'-tetrakis(diphenylphosphinoselenoyl)ethane-1,2-diamine?
The IUPAC name of N,N,N',N'-tetrakis(diphenylphosphinoselenoyl)ethane-1,2-diamine (CID 102285929) is N,N,N',N'-tetrakis(diphenylphosphinoselenoyl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis(diphenylphosphinoselenoyl)ethane-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetrakis(diphenylphosphinoselenoyl)ethane-1,2-diamine is [Se]=P(c1ccccc1)(c1ccccc1)N(CCN(P(=[Se])(c1ccccc1)c1ccccc1)P(=[Se])(c1ccccc1)c1ccccc1)P(=[Se])(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N,N',N'-tetrakis(diphenylphosphinoselenoyl)ethane-1,2-diamine?
The InChIKey is PZONWDMYFBJXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N2P4Se4/c57-53(43-25-9-1-10-26-43,44-27-11-2-12-28-44)51(54(58,45-29-13-3-14-30-45)46-31-15-4-16-32-46)41-42-52(55(59,47-33-17-5-18-34-47)48-35-19-6-20-36-48)56(60,49-37-21-7-22-38-49)50-39-23-8-24-40-50/h1-40H,41-42H2.
What are the key properties of N,N,N',N'-tetrakis(diphenylphosphinoselenoyl)ethane-1,2-diamine?
N,N,N',N'-tetrakis(diphenylphosphinoselenoyl)ethane-1,2-diamine has a molecular weight of 1112.65 g/mol, XLogP of 8.26, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(diphenylphosphinoselenoyl)ethane-1,2-diamine is sourced from PubChem (CID 102285929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).