N,N'-dibenzyl-1,2-diphenylethane-1,2-diimine

C28H24N2 — CID 12674936

IUPACN,N'-dibenzyl-1,2-diphenylethane-1,2-diimine
SMILESc1ccc(C/N=C(C(=N/Cc2ccccc2)/c2ccccc2)\c2ccccc2)cc1
InChIInChI=1S/C28H24N2/c1-5-13-23(14-6-1)21-29-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)30-22-24-15-7-2-8-16-24/h1-20H,21-22H2/b29-27+,30-28+
InChIKeyBRTDCJAZAKPVQS-QAVVBOBSSA-N
MW388.51 g/mol
LogP6.37
Rot. Bonds7

About N,N'-dibenzyl-1,2-diphenylethane-1,2-diimine

N,N'-dibenzyl-1,2-diphenylethane-1,2-diimine (PubChem CID 12674936) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N,N'-dibenzyl-1,2-diphenylethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-dibenzyl-1,2-diphenylethane-1,2-diimine
PubChem CID12674936
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC NameN,N'-dibenzyl-1,2-diphenylethane-1,2-diimine
SMILESc1ccc(C/N=C(C(=N/Cc2ccccc2)/c2ccccc2)\c2ccccc2)cc1
InChIInChI=1S/C28H24N2/c1-5-13-23(14-6-1)21-29-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)30-22-24-15-7-2-8-16-24/h1-20H,21-22H2/b29-27+,30-28+
InChIKeyBRTDCJAZAKPVQS-QAVVBOBSSA-N
XLogP6.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzyl-1,2-diphenylethane-1,2-diimine?
The IUPAC name of N,N'-dibenzyl-1,2-diphenylethane-1,2-diimine (CID 12674936) is N,N'-dibenzyl-1,2-diphenylethane-1,2-diimine.
What is the SMILES notation for N,N'-dibenzyl-1,2-diphenylethane-1,2-diimine?
The canonical SMILES for N,N'-dibenzyl-1,2-diphenylethane-1,2-diimine is c1ccc(C/N=C(C(=N/Cc2ccccc2)/c2ccccc2)\c2ccccc2)cc1.
What is the InChIKey of N,N'-dibenzyl-1,2-diphenylethane-1,2-diimine?
The InChIKey is BRTDCJAZAKPVQS-QAVVBOBSSA-N. The full InChI is InChI=1S/C28H24N2/c1-5-13-23(14-6-1)21-29-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)30-22-24-15-7-2-8-16-24/h1-20H,21-22H2/b29-27+,30-28+.
What are the key properties of N,N'-dibenzyl-1,2-diphenylethane-1,2-diimine?
N,N'-dibenzyl-1,2-diphenylethane-1,2-diimine has a molecular weight of 388.51 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzyl-1,2-diphenylethane-1,2-diimine is sourced from PubChem (CID 12674936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).