1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine

C26H18Cl2N2 — CID 10717455

IUPAC1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine
SMILESClc1ccc(C(=N\c2ccccc2)/C(=N/c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H18Cl2N2/c27-21-15-11-19(12-16-21)25(29-23-7-3-1-4-8-23)26(20-13-17-22(28)18-14-20)30-24-9-5-2-6-10-24/h1-18H/b29-25+,30-26+
InChIKeyJZMNNXPVFPGELX-XDHTVYJESA-N
MW429.35 g/mol
LogP7.94
Rot. Bonds5

About 1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine

1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine (PubChem CID 10717455) has the molecular formula C26H18Cl2N2 and a molecular weight of 429.35 g/mol. Its IUPAC name is 1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine.

Molecular Properties

Compound Name1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine
PubChem CID10717455
Molecular FormulaC26H18Cl2N2
Molecular Weight429.35 g/mol
Exact Mass428.08
IUPAC Name1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine
SMILESClc1ccc(C(=N\c2ccccc2)/C(=N/c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H18Cl2N2/c27-21-15-11-19(12-16-21)25(29-23-7-3-1-4-8-23)26(20-13-17-22(28)18-14-20)30-24-9-5-2-6-10-24/h1-18H/b29-25+,30-26+
InChIKeyJZMNNXPVFPGELX-XDHTVYJESA-N
XLogP7.94
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 57.94
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'}

Analyze 1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-Bis(4-chlorobenzylidene)-1,4-phenylenediamine
CID 328193
3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine
CID 45267886
2,8-Dichloro-6,12-diphenyldibenzo[b,f][1,5]diazocine
CID 19276
(4-Chloro-benzylidene)-(4-phenylazo-phenyl)-amine
CID 5121481
6,12-Diphenyldibenzo[b,f][1,5]diazocine
CID 296709
1-(4-chlorophenyl)-N-[4-[4-[(4-chlorophenyl)methylideneamino]phenyl]phenyl]methanimine
CID 634695
Benzenamine, N,N'-(1,2-diphenyl-1,2-ethanediylidene)bis-
CID 436963
N,N'-Bis((4-chlorophenyl)methylene)-6,12-diphenyldibenzo(b,f)(1,5)diazocine-2,8-diamine
CID 3076114
4,4'-Dithiobis(N-(4-chlorobenzylidene)aniline)
CID 386009
2,8-Dichloro-6,12-bis(2-chlorophenyl)benzo[c][1,5]benzodiazocine
CID 1898171
1-(4-chlorophenyl)-N-[4-[2-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 11305634
2,2-Bis(4-chlorophenyl)-N-(4-methylphenyl)ethen-1-imine
CID 305515

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine?
The IUPAC name of 1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine (CID 10717455) is 1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine.
What is the SMILES notation for 1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine?
The canonical SMILES for 1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine is Clc1ccc(C(=N\c2ccccc2)/C(=N/c2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine?
The InChIKey is JZMNNXPVFPGELX-XDHTVYJESA-N. The full InChI is InChI=1S/C26H18Cl2N2/c27-21-15-11-19(12-16-21)25(29-23-7-3-1-4-8-23)26(20-13-17-22(28)18-14-20)30-24-9-5-2-6-10-24/h1-18H/b29-25+,30-26+.
What are the key properties of 1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine?
1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine has a molecular weight of 429.35 g/mol, XLogP of 7.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-chlorophenyl)-N,N'-diphenylethane-1,2-diimine is sourced from PubChem (CID 10717455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).