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

C26H29N — CID 20870817

IUPACN-[2,6-di(propan-2-yl)phenyl]-1,2-diphenylethanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H29N/c1-19(2)23-16-11-17-24(20(3)4)26(23)27-25(22-14-9-6-10-15-22)18-21-12-7-5-8-13-21/h5-17,19-20H,18H2,1-4H3/b27-25+
InChIKeyGCZKBQHADRCYPH-IMVLJIQESA-N
MW355.52 g/mol
LogP7.30
Rot. Bonds6

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

N-[2,6-di(propan-2-yl)phenyl]-1,2-diphenylethanimine (PubChem CID 20870817) has the molecular formula C26H29N and a molecular weight of 355.52 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1,2-diphenylethanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1,2-diphenylethanimine
PubChem CID20870817
Molecular FormulaC26H29N
Molecular Weight355.52 g/mol
Exact Mass355.23
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1,2-diphenylethanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H29N/c1-19(2)23-16-11-17-24(20(3)4)26(23)27-25(22-14-9-6-10-15-22)18-21-12-7-5-8-13-21/h5-17,19-20H,18H2,1-4H3/b27-25+
InChIKeyGCZKBQHADRCYPH-IMVLJIQESA-N
XLogP7.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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]-1,2-diphenylethanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1,2-diphenylethanimine (CID 20870817) is N-[2,6-di(propan-2-yl)phenyl]-1,2-diphenylethanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1,2-diphenylethanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1,2-diphenylethanimine is CC(C)c1cccc(C(C)C)c1/N=C(\Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1,2-diphenylethanimine?
The InChIKey is GCZKBQHADRCYPH-IMVLJIQESA-N. The full InChI is InChI=1S/C26H29N/c1-19(2)23-16-11-17-24(20(3)4)26(23)27-25(22-14-9-6-10-15-22)18-21-12-7-5-8-13-21/h5-17,19-20H,18H2,1-4H3/b27-25+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1,2-diphenylethanimine?
N-[2,6-di(propan-2-yl)phenyl]-1,2-diphenylethanimine has a molecular weight of 355.52 g/mol, XLogP of 7.30, 6 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-diphenylethanimine is sourced from PubChem (CID 20870817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).