N',N'-bis(diphenylphosphanyl)-N,N-di(propan-2-yl)ethane-1,2-diamine

C32H38N2P2 — CID 102106289

IUPACN',N'-bis(diphenylphosphanyl)-N,N-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C32H38N2P2/c1-27(2)33(28(3)4)25-26-34(35(29-17-9-5-10-18-29)30-19-11-6-12-20-30)36(31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-24,27-28H,25-26H2,1-4H3
InChIKeyLXOBJDJVZDFIOD-UHFFFAOYSA-N
MW512.62 g/mol
LogP6.50
Rot. Bonds11

About N',N'-bis(diphenylphosphanyl)-N,N-di(propan-2-yl)ethane-1,2-diamine

N',N'-bis(diphenylphosphanyl)-N,N-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 102106289) has the molecular formula C32H38N2P2 and a molecular weight of 512.62 g/mol. Its IUPAC name is N',N'-bis(diphenylphosphanyl)-N,N-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(diphenylphosphanyl)-N,N-di(propan-2-yl)ethane-1,2-diamine
PubChem CID102106289
Molecular FormulaC32H38N2P2
Molecular Weight512.62 g/mol
Exact Mass512.25
IUPAC NameN',N'-bis(diphenylphosphanyl)-N,N-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C32H38N2P2/c1-27(2)33(28(3)4)25-26-34(35(29-17-9-5-10-18-29)30-19-11-6-12-20-30)36(31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-24,27-28H,25-26H2,1-4H3
InChIKeyLXOBJDJVZDFIOD-UHFFFAOYSA-N
XLogP6.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 56.50
H-Bond Donors ≤ 50
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 N',N'-bis(diphenylphosphanyl)-N,N-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-bis(diphenylphosphanyl)-N,N-di(propan-2-yl)ethane-1,2-diamine (CID 102106289) is N',N'-bis(diphenylphosphanyl)-N,N-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(diphenylphosphanyl)-N,N-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-bis(diphenylphosphanyl)-N,N-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of N',N'-bis(diphenylphosphanyl)-N,N-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is LXOBJDJVZDFIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2P2/c1-27(2)33(28(3)4)25-26-34(35(29-17-9-5-10-18-29)30-19-11-6-12-20-30)36(31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-24,27-28H,25-26H2,1-4H3.
What are the key properties of N',N'-bis(diphenylphosphanyl)-N,N-di(propan-2-yl)ethane-1,2-diamine?
N',N'-bis(diphenylphosphanyl)-N,N-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 512.62 g/mol, XLogP of 6.50, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(diphenylphosphanyl)-N,N-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 102106289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).