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

C31H39N3 — CID 11753504

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1cccc(/C=N/c2c(C(C)C)cccc2C(C)C)n1
InChIInChI=1S/C31H39N3/c1-20(2)26-14-10-15-27(21(3)4)30(26)32-18-24-12-9-13-25(34-24)19-33-31-28(22(5)6)16-11-17-29(31)23(7)8/h9-23H,1-8H3/b32-18+,33-19+
InChIKeyJSCUFNQCEVUPJJ-XYHIKERESA-N
MW453.67 g/mol
LogP9.08
Rot. Bonds8

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

N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine (PubChem CID 11753504) has the molecular formula C31H39N3 and a molecular weight of 453.67 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine
PubChem CID11753504
Molecular FormulaC31H39N3
Molecular Weight453.67 g/mol
Exact Mass453.31
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1cccc(/C=N/c2c(C(C)C)cccc2C(C)C)n1
InChIInChI=1S/C31H39N3/c1-20(2)26-14-10-15-27(21(3)4)30(26)32-18-24-12-9-13-25(34-24)19-33-31-28(22(5)6)16-11-17-29(31)23(7)8/h9-23H,1-8H3/b32-18+,33-19+
InChIKeyJSCUFNQCEVUPJJ-XYHIKERESA-N
XLogP9.08
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.67
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine (CID 11753504) is N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine is CC(C)c1cccc(C(C)C)c1/N=C/c1cccc(/C=N/c2c(C(C)C)cccc2C(C)C)n1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine?
The InChIKey is JSCUFNQCEVUPJJ-XYHIKERESA-N. The full InChI is InChI=1S/C31H39N3/c1-20(2)26-14-10-15-27(21(3)4)30(26)32-18-24-12-9-13-25(34-24)19-33-31-28(22(5)6)16-11-17-29(31)23(7)8/h9-23H,1-8H3/b32-18+,33-19+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine has a molecular weight of 453.67 g/mol, XLogP of 9.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine is sourced from PubChem (CID 11753504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).