N-[1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine

C34H36N2 — CID 18988850

IUPACN-[1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/C=N/C(c2ccccc2)C(/N=C/c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1
InChIInChI=1S/C34H36N2/c1-23-17-25(3)31(26(4)18-23)21-35-33(29-13-9-7-10-14-29)34(30-15-11-8-12-16-30)36-22-32-27(5)19-24(2)20-28(32)6/h7-22,33-34H,1-6H3/b35-21+,36-22+
InChIKeyLVDZSYMRHIOFDF-JTOYJDTJSA-N
MW472.68 g/mol
LogP8.56
Rot. Bonds7

About N-[1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine

N-[1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine (PubChem CID 18988850) has the molecular formula C34H36N2 and a molecular weight of 472.68 g/mol. Its IUPAC name is N-[1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine.

Molecular Properties

Compound NameN-[1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine
PubChem CID18988850
Molecular FormulaC34H36N2
Molecular Weight472.68 g/mol
Exact Mass472.29
IUPAC NameN-[1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/C=N/C(c2ccccc2)C(/N=C/c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1
InChIInChI=1S/C34H36N2/c1-23-17-25(3)31(26(4)18-23)21-35-33(29-13-9-7-10-14-29)34(30-15-11-8-12-16-30)36-22-32-27(5)19-24(2)20-28(32)6/h7-22,33-34H,1-6H3/b35-21+,36-22+
InChIKeyLVDZSYMRHIOFDF-JTOYJDTJSA-N
XLogP8.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 58.56
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-[1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine?
The IUPAC name of N-[1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine (CID 18988850) is N-[1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine.
What is the SMILES notation for N-[1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine?
The canonical SMILES for N-[1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine is Cc1cc(C)c(/C=N/C(c2ccccc2)C(/N=C/c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1.
What is the InChIKey of N-[1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine?
The InChIKey is LVDZSYMRHIOFDF-JTOYJDTJSA-N. The full InChI is InChI=1S/C34H36N2/c1-23-17-25(3)31(26(4)18-23)21-35-33(29-13-9-7-10-14-29)34(30-15-11-8-12-16-30)36-22-32-27(5)19-24(2)20-28(32)6/h7-22,33-34H,1-6H3/b35-21+,36-22+.
What are the key properties of N-[1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine?
N-[1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine has a molecular weight of 472.68 g/mol, XLogP of 8.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine is sourced from PubChem (CID 18988850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).