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

C41H36N2P2 — CID 101057932

IUPAC1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]propyl]methanimine
SMILESC[C@H](C/N=C/c1ccccc1P(c1ccccc1)c1ccccc1)/N=C\c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H36N2P2/c1-33(43-32-35-19-15-17-29-41(35)45(38-24-10-4-11-25-38)39-26-12-5-13-27-39)30-42-31-34-18-14-16-28-40(34)44(36-20-6-2-7-21-36)37-22-8-3-9-23-37/h2-29,31-33H,30H2,1H3/b42-31+,43-32-/t33-/m1/s1
InChIKeyIVYOYEAKWVQSBS-VYTPUOMJSA-N
MW618.70 g/mol
LogP7.13
Rot. Bonds11

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

1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]propyl]methanimine (PubChem CID 101057932) has the molecular formula C41H36N2P2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]propyl]methanimine.

Molecular Properties

Compound Name1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]propyl]methanimine
PubChem CID101057932
Molecular FormulaC41H36N2P2
Molecular Weight618.70 g/mol
Exact Mass618.24
IUPAC Name1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]propyl]methanimine
SMILESC[C@H](C/N=C/c1ccccc1P(c1ccccc1)c1ccccc1)/N=C\c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H36N2P2/c1-33(43-32-35-19-15-17-29-41(35)45(38-24-10-4-11-25-38)39-26-12-5-13-27-39)30-42-31-34-18-14-16-28-40(34)44(36-20-6-2-7-21-36)37-22-8-3-9-23-37/h2-29,31-33H,30H2,1H3/b42-31+,43-32-/t33-/m1/s1
InChIKeyIVYOYEAKWVQSBS-VYTPUOMJSA-N
XLogP7.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 57.13
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]propyl]methanimine?
The IUPAC name of 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]propyl]methanimine (CID 101057932) is 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]propyl]methanimine.
What is the SMILES notation for 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]propyl]methanimine?
The canonical SMILES for 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]propyl]methanimine is C[C@H](C/N=C/c1ccccc1P(c1ccccc1)c1ccccc1)/N=C\c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]propyl]methanimine?
The InChIKey is IVYOYEAKWVQSBS-VYTPUOMJSA-N. The full InChI is InChI=1S/C41H36N2P2/c1-33(43-32-35-19-15-17-29-41(35)45(38-24-10-4-11-25-38)39-26-12-5-13-27-39)30-42-31-34-18-14-16-28-40(34)44(36-20-6-2-7-21-36)37-22-8-3-9-23-37/h2-29,31-33H,30H2,1H3/b42-31+,43-32-/t33-/m1/s1.
What are the key properties of 1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]propyl]methanimine?
1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]propyl]methanimine has a molecular weight of 618.70 g/mol, XLogP of 7.13, 11 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]propyl]methanimine is sourced from PubChem (CID 101057932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).