1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine

C52H42N2P2 — CID 59365608

IUPAC1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine
SMILESC(=N\C(c1ccccc1)[C@H](/N=C\c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H42N2P2/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/h1-40,51-52H/b53-39-,54-40-/t51-,52?/m1/s1
InChIKeyFRCUVFCGVKRGDL-TZOZHZJTSA-N
MW756.87 g/mol
LogP10.22
Rot. Bonds13

About 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine

1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine (PubChem CID 59365608) has the molecular formula C52H42N2P2 and a molecular weight of 756.87 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine.

Molecular Properties

Compound Name1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine
PubChem CID59365608
Molecular FormulaC52H42N2P2
Molecular Weight756.87 g/mol
Exact Mass756.28
IUPAC Name1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine
SMILESC(=N\C(c1ccccc1)[C@H](/N=C\c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H42N2P2/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/h1-40,51-52H/b53-39-,54-40-/t51-,52?/m1/s1
InChIKeyFRCUVFCGVKRGDL-TZOZHZJTSA-N
XLogP10.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.87
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine?
The IUPAC name of 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine (CID 59365608) is 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine.
What is the SMILES notation for 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine?
The canonical SMILES for 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine is C(=N\C(c1ccccc1)[C@H](/N=C\c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine?
The InChIKey is FRCUVFCGVKRGDL-TZOZHZJTSA-N. The full InChI is InChI=1S/C52H42N2P2/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/h1-40,51-52H/b53-39-,54-40-/t51-,52?/m1/s1.
What are the key properties of 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine?
1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine has a molecular weight of 756.87 g/mol, XLogP of 10.22, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine is sourced from PubChem (CID 59365608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).