(1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine

C36H32N2 — CID 11271849

IUPAC(1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine
SMILESc1ccc([C@@H](NCc2cccc3ccccc23)[C@H](NCc2cccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C36H32N2/c1-3-15-29(16-4-1)35(37-25-31-21-11-19-27-13-7-9-23-33(27)31)36(30-17-5-2-6-18-30)38-26-32-22-12-20-28-14-8-10-24-34(28)32/h1-24,35-38H,25-26H2/t35-,36-/m1/s1
InChIKeyXANGKRYJCUWBHS-LQFQNGICSA-N
MW492.67 g/mol
LogP8.35
Rot. Bonds9

About (1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine

(1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine (PubChem CID 11271849) has the molecular formula C36H32N2 and a molecular weight of 492.67 g/mol. Its IUPAC name is (1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine.

Molecular Properties

Compound Name(1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine
PubChem CID11271849
Molecular FormulaC36H32N2
Molecular Weight492.67 g/mol
Exact Mass492.26
IUPAC Name(1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine
SMILESc1ccc([C@@H](NCc2cccc3ccccc23)[C@H](NCc2cccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C36H32N2/c1-3-15-29(16-4-1)35(37-25-31-21-11-19-27-13-7-9-23-33(27)31)36(30-17-5-2-6-18-30)38-26-32-22-12-20-28-14-8-10-24-34(28)32/h1-24,35-38H,25-26H2/t35-,36-/m1/s1
InChIKeyXANGKRYJCUWBHS-LQFQNGICSA-N
XLogP8.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 58.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-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 (1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine?
The IUPAC name of (1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine (CID 11271849) is (1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine.
What is the SMILES notation for (1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine?
The canonical SMILES for (1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine is c1ccc([C@@H](NCc2cccc3ccccc23)[C@H](NCc2cccc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of (1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine?
The InChIKey is XANGKRYJCUWBHS-LQFQNGICSA-N. The full InChI is InChI=1S/C36H32N2/c1-3-15-29(16-4-1)35(37-25-31-21-11-19-27-13-7-9-23-33(27)31)36(30-17-5-2-6-18-30)38-26-32-22-12-20-28-14-8-10-24-34(28)32/h1-24,35-38H,25-26H2/t35-,36-/m1/s1.
What are the key properties of (1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine?
(1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine has a molecular weight of 492.67 g/mol, XLogP of 8.35, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine is sourced from PubChem (CID 11271849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).