N-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine

C31H48NP — CID 102325221

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/Pc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C31H48NP/c1-20(2)23-15-14-16-24(21(3)4)27(23)32-19-33-28-25(30(8,9)10)17-22(29(5,6)7)18-26(28)31(11,12)13/h14-21,33H,1-13H3/b32-19+
InChIKeyKPWBRYMOSKCEEG-BIZUNTBRSA-N
MW465.71 g/mol
LogP9.49
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine

N-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine (PubChem CID 102325221) has the molecular formula C31H48NP and a molecular weight of 465.71 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine
PubChem CID102325221
Molecular FormulaC31H48NP
Molecular Weight465.71 g/mol
Exact Mass465.35
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/Pc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C31H48NP/c1-20(2)23-15-14-16-24(21(3)4)27(23)32-19-33-28-25(30(8,9)10)17-22(29(5,6)7)18-26(28)31(11,12)13/h14-21,33H,1-13H3/b32-19+
InChIKeyKPWBRYMOSKCEEG-BIZUNTBRSA-N
XLogP9.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.71
LogP ≤ 59.49
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 N-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine (CID 102325221) is N-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine is CC(C)c1cccc(C(C)C)c1/N=C/Pc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine?
The InChIKey is KPWBRYMOSKCEEG-BIZUNTBRSA-N. The full InChI is InChI=1S/C31H48NP/c1-20(2)23-15-14-16-24(21(3)4)27(23)32-19-33-28-25(30(8,9)10)17-22(29(5,6)7)18-26(28)31(11,12)13/h14-21,33H,1-13H3/b32-19+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine has a molecular weight of 465.71 g/mol, XLogP of 9.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-(2,4,6-tritert-butylphenyl)phosphanylmethanimine is sourced from PubChem (CID 102325221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).