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

C26H22Cl2N2 — CID 100939865

IUPACN',N'-bis(4-chlorophenyl)-1,2-diphenylethane-1,2-diamine
SMILESNC(c1ccccc1)C(c1ccccc1)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H22Cl2N2/c27-21-11-15-23(16-12-21)30(24-17-13-22(28)14-18-24)26(20-9-5-2-6-10-20)25(29)19-7-3-1-4-8-19/h1-18,25-26H,29H2
InChIKeyCPBSCYQWFXTXLH-UHFFFAOYSA-N
MW433.38 g/mol
LogP7.57
Rot. Bonds6

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

N',N'-bis(4-chlorophenyl)-1,2-diphenylethane-1,2-diamine (PubChem CID 100939865) has the molecular formula C26H22Cl2N2 and a molecular weight of 433.38 g/mol. Its IUPAC name is N',N'-bis(4-chlorophenyl)-1,2-diphenylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(4-chlorophenyl)-1,2-diphenylethane-1,2-diamine
PubChem CID100939865
Molecular FormulaC26H22Cl2N2
Molecular Weight433.38 g/mol
Exact Mass432.12
IUPAC NameN',N'-bis(4-chlorophenyl)-1,2-diphenylethane-1,2-diamine
SMILESNC(c1ccccc1)C(c1ccccc1)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H22Cl2N2/c27-21-11-15-23(16-12-21)30(24-17-13-22(28)14-18-24)26(20-9-5-2-6-10-20)25(29)19-7-3-1-4-8-19/h1-18,25-26H,29H2
InChIKeyCPBSCYQWFXTXLH-UHFFFAOYSA-N
XLogP7.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(4-chlorophenyl)-1,2-diphenylethane-1,2-diamine?
The IUPAC name of N',N'-bis(4-chlorophenyl)-1,2-diphenylethane-1,2-diamine (CID 100939865) is N',N'-bis(4-chlorophenyl)-1,2-diphenylethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(4-chlorophenyl)-1,2-diphenylethane-1,2-diamine?
The canonical SMILES for N',N'-bis(4-chlorophenyl)-1,2-diphenylethane-1,2-diamine is NC(c1ccccc1)C(c1ccccc1)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N',N'-bis(4-chlorophenyl)-1,2-diphenylethane-1,2-diamine?
The InChIKey is CPBSCYQWFXTXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N2/c27-21-11-15-23(16-12-21)30(24-17-13-22(28)14-18-24)26(20-9-5-2-6-10-20)25(29)19-7-3-1-4-8-19/h1-18,25-26H,29H2.
What are the key properties of N',N'-bis(4-chlorophenyl)-1,2-diphenylethane-1,2-diamine?
N',N'-bis(4-chlorophenyl)-1,2-diphenylethane-1,2-diamine has a molecular weight of 433.38 g/mol, XLogP of 7.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(4-chlorophenyl)-1,2-diphenylethane-1,2-diamine is sourced from PubChem (CID 100939865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).