N,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine

C36H32N4P2 — CID 102285685

IUPACN,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine
SMILESc1ccc(P(NC(c2ccccn2)C(NP(c2ccccc2)c2ccccc2)c2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C36H32N4P2/c1-5-17-29(18-6-1)41(30-19-7-2-8-20-30)39-35(33-25-13-15-27-37-33)36(34-26-14-16-28-38-34)40-42(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,35-36,39-40H
InChIKeyPKJVEVJMUOLONI-UHFFFAOYSA-N
MW582.63 g/mol
LogP6.53
Rot. Bonds11

About N,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine

N,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine (PubChem CID 102285685) has the molecular formula C36H32N4P2 and a molecular weight of 582.63 g/mol. Its IUPAC name is N,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine
PubChem CID102285685
Molecular FormulaC36H32N4P2
Molecular Weight582.63 g/mol
Exact Mass582.21
IUPAC NameN,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine
SMILESc1ccc(P(NC(c2ccccn2)C(NP(c2ccccc2)c2ccccc2)c2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C36H32N4P2/c1-5-17-29(18-6-1)41(30-19-7-2-8-20-30)39-35(33-25-13-15-27-37-33)36(34-26-14-16-28-38-34)40-42(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,35-36,39-40H
InChIKeyPKJVEVJMUOLONI-UHFFFAOYSA-N
XLogP6.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.63
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane
CID 15398914
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
carbon monoxide;[diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane;propan-2-one;rhenium;bromide
CID 139136657
chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride
CID 175534500
N-methyl-1-phenyl-2-pyridin-2-ylpropan-1-amine
CID 66447604
(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
(1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 102294880
2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide
CID 126689202
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 81402344

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine?
The IUPAC name of N,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine (CID 102285685) is N,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine is c1ccc(P(NC(c2ccccn2)C(NP(c2ccccc2)c2ccccc2)c2ccccn2)c2ccccc2)cc1.
What is the InChIKey of N,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine?
The InChIKey is PKJVEVJMUOLONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4P2/c1-5-17-29(18-6-1)41(30-19-7-2-8-20-30)39-35(33-25-13-15-27-37-33)36(34-26-14-16-28-38-34)40-42(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,35-36,39-40H.
What are the key properties of N,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine?
N,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine has a molecular weight of 582.63 g/mol, XLogP of 6.53, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 102285685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).