(2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine

C52H46N2P2 — CID 89057700

IUPAC(2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
SMILESc1ccc(C(NCc2ccccc2P(c2ccccc2)c2ccccc2)[C@H](NCc2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H46N2P2/c1-7-23-41(24-8-1)51(53-39-43-27-19-21-37-49(43)55(45-29-11-3-12-30-45)46-31-13-4-14-32-46)52(42-25-9-2-10-26-42)54-40-44-28-20-22-38-50(44)56(47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-38,51-54H,39-40H2/t51-,52?/m1/s1
InChIKeyJMBTWUBNZRVXAU-NQMBMJBFSA-N
MW760.90 g/mol
LogP9.56
Rot. Bonds15

About (2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine

(2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine (PubChem CID 89057700) has the molecular formula C52H46N2P2 and a molecular weight of 760.90 g/mol. Its IUPAC name is (2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine.

Molecular Properties

Compound Name(2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
PubChem CID89057700
Molecular FormulaC52H46N2P2
Molecular Weight760.90 g/mol
Exact Mass760.31
IUPAC Name(2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
SMILESc1ccc(C(NCc2ccccc2P(c2ccccc2)c2ccccc2)[C@H](NCc2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H46N2P2/c1-7-23-41(24-8-1)51(53-39-43-27-19-21-37-49(43)55(45-29-11-3-12-30-45)46-31-13-4-14-32-46)52(42-25-9-2-10-26-42)54-40-44-28-20-22-38-50(44)56(47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-38,51-54H,39-40H2/t51-,52?/m1/s1
InChIKeyJMBTWUBNZRVXAU-NQMBMJBFSA-N
XLogP9.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.90
LogP ≤ 59.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine
CID 66986622
lithium (2-diphenylphosphanylphenyl)methanolate
CID 102445042
2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride
CID 172741972
[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172706250
(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
[2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide
CID 172706183
1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine
CID 139633406
[2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane
CID 23413693
2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol;hydrochloride
CID 51117351
[2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane
CID 71417943
2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide
CID 135077215
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine?
The IUPAC name of (2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine (CID 89057700) is (2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine.
What is the SMILES notation for (2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine?
The canonical SMILES for (2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine is c1ccc(C(NCc2ccccc2P(c2ccccc2)c2ccccc2)[C@H](NCc2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine?
The InChIKey is JMBTWUBNZRVXAU-NQMBMJBFSA-N. The full InChI is InChI=1S/C52H46N2P2/c1-7-23-41(24-8-1)51(53-39-43-27-19-21-37-49(43)55(45-29-11-3-12-30-45)46-31-13-4-14-32-46)52(42-25-9-2-10-26-42)54-40-44-28-20-22-38-50(44)56(47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-38,51-54H,39-40H2/t51-,52?/m1/s1.
What are the key properties of (2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine?
(2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine has a molecular weight of 760.90 g/mol, XLogP of 9.56, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine is sourced from PubChem (CID 89057700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).