N-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine

C63H54N3P3 — CID 102420051

IUPACN-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine
SMILESC(=N\C1CC(/N=C/c2ccccc2P(c2ccccc2)c2ccccc2)CC(/N=C/c2ccccc2P(c2ccccc2)c2ccccc2)C1)\c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C63H54N3P3/c1-7-28-55(29-8-1)67(56-30-9-2-10-31-56)61-40-22-19-25-49(61)46-64-52-43-53(65-47-50-26-20-23-41-62(50)68(57-32-11-3-12-33-57)58-34-13-4-14-35-58)45-54(44-52)66-48-51-27-21-24-42-63(51)69(59-36-15-5-16-37-59)60-38-17-6-18-39-60/h1-42,46-48,52-54H,43-45H2/b64-46-,65-47+,66-48+
InChIKeyGIZIDXCBVDCKRR-XUYTZHCSSA-N
MW946.07 g/mol
LogP10.91
Rot. Bonds15

About N-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine

N-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine (PubChem CID 102420051) has the molecular formula C63H54N3P3 and a molecular weight of 946.07 g/mol. Its IUPAC name is N-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine.

Molecular Properties

Compound NameN-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine
PubChem CID102420051
Molecular FormulaC63H54N3P3
Molecular Weight946.07 g/mol
Exact Mass945.35
IUPAC NameN-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine
SMILESC(=N\C1CC(/N=C/c2ccccc2P(c2ccccc2)c2ccccc2)CC(/N=C/c2ccccc2P(c2ccccc2)c2ccccc2)C1)\c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C63H54N3P3/c1-7-28-55(29-8-1)67(56-30-9-2-10-31-56)61-40-22-19-25-49(61)46-64-52-43-53(65-47-50-26-20-23-41-62(50)68(57-32-11-3-12-33-57)58-34-13-4-14-35-58)45-54(44-52)66-48-51-27-21-24-42-63(51)69(59-36-15-5-16-37-59)60-38-17-6-18-39-60/h1-42,46-48,52-54H,43-45H2/b64-46-,65-47+,66-48+
InChIKeyGIZIDXCBVDCKRR-XUYTZHCSSA-N
XLogP10.91
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.07
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine?
The IUPAC name of N-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine (CID 102420051) is N-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine.
What is the SMILES notation for N-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine?
The canonical SMILES for N-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine is C(=N\C1CC(/N=C/c2ccccc2P(c2ccccc2)c2ccccc2)CC(/N=C/c2ccccc2P(c2ccccc2)c2ccccc2)C1)\c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine?
The InChIKey is GIZIDXCBVDCKRR-XUYTZHCSSA-N. The full InChI is InChI=1S/C63H54N3P3/c1-7-28-55(29-8-1)67(56-30-9-2-10-31-56)61-40-22-19-25-49(61)46-64-52-43-53(65-47-50-26-20-23-41-62(50)68(57-32-11-3-12-33-57)58-34-13-4-14-35-58)45-54(44-52)66-48-51-27-21-24-42-63(51)69(59-36-15-5-16-37-59)60-38-17-6-18-39-60/h1-42,46-48,52-54H,43-45H2/b64-46-,65-47+,66-48+.
What are the key properties of N-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine?
N-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine has a molecular weight of 946.07 g/mol, XLogP of 10.91, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]-1-(2-diphenylphosphanylphenyl)methanimine is sourced from PubChem (CID 102420051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).