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

C32H38N2O2P2 — CID 24891588

IUPACN,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCN(C(C)C)P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H38N2O2P2/c1-27(2)33(37(35,29-17-9-5-10-18-29)30-19-11-6-12-20-30)25-26-34(28(3)4)38(36,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-24,27-28H,25-26H2,1-4H3
InChIKeyDNZUIWUYXUBRTF-UHFFFAOYSA-N
MW544.62 g/mol
LogP6.27
Rot. Bonds11

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

N,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 24891588) has the molecular formula C32H38N2O2P2 and a molecular weight of 544.62 g/mol. Its IUPAC name is N,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID24891588
Molecular FormulaC32H38N2O2P2
Molecular Weight544.62 g/mol
Exact Mass544.24
IUPAC NameN,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCN(C(C)C)P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H38N2O2P2/c1-27(2)33(37(35,29-17-9-5-10-18-29)30-19-11-6-12-20-30)25-26-34(28(3)4)38(36,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-24,27-28H,25-26H2,1-4H3
InChIKeyDNZUIWUYXUBRTF-UHFFFAOYSA-N
XLogP6.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.62
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene
CID 149077573
(1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1-phenylpropan-1-ol
CID 124555381
[1-[diphenylphosphoryl(propan-2-yl)amino]propyl-propan-2-ylamino]-oxo-phenylphosphanium
CID 71130903
2-methylpropyl(phenyl)phosphinic acid
CID 793404
[diphenylphosphoryl(methylsulfonyl)amino] 2,2-dimethylpropanoate
CID 174746067
(1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine
CID 135005736
(2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid
CID 71387585
lithium N-(diphenylphosphorylmethyl)-N-methylaniline
CID 134881538
[2-methylpropyl(phenyl)phosphoryl]benzene
CID 23416687
2-(diphenylphosphorylamino)-3-methylbutan-1-ol
CID 23241768
(1S)-1-[benzyl(diphenylphosphoryl)amino]-1-phenylbut-3-en-2-ol
CID 134940856
[tert-butyl(propan-2-yloxy)phosphoryl]benzene
CID 57270314

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine (CID 24891588) is N,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCN(C(C)C)P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is DNZUIWUYXUBRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O2P2/c1-27(2)33(37(35,29-17-9-5-10-18-29)30-19-11-6-12-20-30)25-26-34(28(3)4)38(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(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine?
N,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 544.62 g/mol, XLogP of 6.27, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 24891588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).