1-(2-diphenylphosphanylphenyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine

C31H32NP — CID 10876115

IUPAC1-(2-diphenylphosphanylphenyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C\c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H32NP/c1-23(2)28-19-13-20-29(24(3)4)31(28)32-22-25-14-11-12-21-30(25)33(26-15-7-5-8-16-26)27-17-9-6-10-18-27/h5-24H,1-4H3/b32-22-
InChIKeyURWYPOVFVSLUFZ-JDCMOKTRSA-N
MW449.58 g/mol
LogP7.44
Rot. Bonds7

About 1-(2-diphenylphosphanylphenyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine

1-(2-diphenylphosphanylphenyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine (PubChem CID 10876115) has the molecular formula C31H32NP and a molecular weight of 449.58 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylphenyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-(2-diphenylphosphanylphenyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine
PubChem CID10876115
Molecular FormulaC31H32NP
Molecular Weight449.58 g/mol
Exact Mass449.23
IUPAC Name1-(2-diphenylphosphanylphenyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C\c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H32NP/c1-23(2)28-19-13-20-29(24(3)4)31(28)32-22-25-14-11-12-21-30(25)33(26-15-7-5-8-16-26)27-17-9-6-10-18-27/h5-24H,1-4H3/b32-22-
InChIKeyURWYPOVFVSLUFZ-JDCMOKTRSA-N
XLogP7.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.58
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[2,6-di(propan-2-yl)phenyl]methanimine?
The IUPAC name of 1-(2-diphenylphosphanylphenyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine (CID 10876115) is 1-(2-diphenylphosphanylphenyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine.
What is the SMILES notation for 1-(2-diphenylphosphanylphenyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine?
The canonical SMILES for 1-(2-diphenylphosphanylphenyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine is CC(C)c1cccc(C(C)C)c1/N=C\c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-diphenylphosphanylphenyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine?
The InChIKey is URWYPOVFVSLUFZ-JDCMOKTRSA-N. The full InChI is InChI=1S/C31H32NP/c1-23(2)28-19-13-20-29(24(3)4)31(28)32-22-25-14-11-12-21-30(25)33(26-15-7-5-8-16-26)27-17-9-6-10-18-27/h5-24H,1-4H3/b32-22-.
What are the key properties of 1-(2-diphenylphosphanylphenyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine?
1-(2-diphenylphosphanylphenyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine has a molecular weight of 449.58 g/mol, XLogP of 7.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanylphenyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine is sourced from PubChem (CID 10876115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).