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

C28H28N2 — CID 12070562

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C28H28N2/c1-19(2)23-14-9-15-24(20(3)4)28(23)29-18-22-12-8-17-27(30-22)26-16-7-11-21-10-5-6-13-25(21)26/h5-20H,1-4H3/b29-18+
InChIKeyQXRUWBDJASERLO-RDRPBHBLSA-N
MW392.55 g/mol
LogP7.90
Rot. Bonds5

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

N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine (PubChem CID 12070562) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
PubChem CID12070562
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C28H28N2/c1-19(2)23-14-9-15-24(20(3)4)28(23)29-18-22-12-8-17-27(30-22)26-16-7-11-21-10-5-6-13-25(21)26/h5-20H,1-4H3/b29-18+
InChIKeyQXRUWBDJASERLO-RDRPBHBLSA-N
XLogP7.90
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-naphthalen-1-yl-2-pyridinyl)methanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine (CID 12070562) is N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine is CC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2cccc3ccccc23)n1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine?
The InChIKey is QXRUWBDJASERLO-RDRPBHBLSA-N. The full InChI is InChI=1S/C28H28N2/c1-19(2)23-14-9-15-24(20(3)4)28(23)29-18-22-12-8-17-27(30-22)26-16-7-11-21-10-5-6-13-25(21)26/h5-20H,1-4H3/b29-18+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine has a molecular weight of 392.55 g/mol, XLogP of 7.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine is sourced from PubChem (CID 12070562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).