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

C40H32N2 — CID 12746238

IUPACN,N'-dibenzhydryl-1,2-diphenylethane-1,2-diimine
SMILESc1ccc(C(=N\C(c2ccccc2)c2ccccc2)/C(=N/C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C40H32N2/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32)41-39(35-27-15-5-16-28-35)40(36-29-17-6-18-30-36)42-38(33-23-11-3-12-24-33)34-25-13-4-14-26-34/h1-30,37-38H/b41-39+,42-40+
InChIKeyGFPSVAHRJXQJLW-LMXNTIJMSA-N
MW540.71 g/mol
LogP9.54
Rot. Bonds9

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

N,N'-dibenzhydryl-1,2-diphenylethane-1,2-diimine (PubChem CID 12746238) has the molecular formula C40H32N2 and a molecular weight of 540.71 g/mol. Its IUPAC name is N,N'-dibenzhydryl-1,2-diphenylethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-dibenzhydryl-1,2-diphenylethane-1,2-diimine
PubChem CID12746238
Molecular FormulaC40H32N2
Molecular Weight540.71 g/mol
Exact Mass540.26
IUPAC NameN,N'-dibenzhydryl-1,2-diphenylethane-1,2-diimine
SMILESc1ccc(C(=N\C(c2ccccc2)c2ccccc2)/C(=N/C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C40H32N2/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32)41-39(35-27-15-5-16-28-35)40(36-29-17-6-18-30-36)42-38(33-23-11-3-12-24-33)34-25-13-4-14-26-34/h1-30,37-38H/b41-39+,42-40+
InChIKeyGFPSVAHRJXQJLW-LMXNTIJMSA-N
XLogP9.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 59.54
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'-dibenzhydryl-1,2-diphenylethane-1,2-diimine?
The IUPAC name of N,N'-dibenzhydryl-1,2-diphenylethane-1,2-diimine (CID 12746238) is N,N'-dibenzhydryl-1,2-diphenylethane-1,2-diimine.
What is the SMILES notation for N,N'-dibenzhydryl-1,2-diphenylethane-1,2-diimine?
The canonical SMILES for N,N'-dibenzhydryl-1,2-diphenylethane-1,2-diimine is c1ccc(C(=N\C(c2ccccc2)c2ccccc2)/C(=N/C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N'-dibenzhydryl-1,2-diphenylethane-1,2-diimine?
The InChIKey is GFPSVAHRJXQJLW-LMXNTIJMSA-N. The full InChI is InChI=1S/C40H32N2/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32)41-39(35-27-15-5-16-28-35)40(36-29-17-6-18-30-36)42-38(33-23-11-3-12-24-33)34-25-13-4-14-26-34/h1-30,37-38H/b41-39+,42-40+.
What are the key properties of N,N'-dibenzhydryl-1,2-diphenylethane-1,2-diimine?
N,N'-dibenzhydryl-1,2-diphenylethane-1,2-diimine has a molecular weight of 540.71 g/mol, XLogP of 9.54, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzhydryl-1,2-diphenylethane-1,2-diimine is sourced from PubChem (CID 12746238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).