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

C36H32N2 — CID 66986622

IUPACN,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine
SMILESc1ccc(C(NCc2cccc3ccccc23)C(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
InChIKeyXANGKRYJCUWBHS-UHFFFAOYSA-N
MW492.67 g/mol
LogP8.35
Rot. Bonds9

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

N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine (PubChem CID 66986622) has the molecular formula C36H32N2 and a molecular weight of 492.67 g/mol. Its IUPAC name is N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine
PubChem CID66986622
Molecular FormulaC36H32N2
Molecular Weight492.67 g/mol
Exact Mass492.26
IUPAC NameN,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine
SMILESc1ccc(C(NCc2cccc3ccccc23)C(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
InChIKeyXANGKRYJCUWBHS-UHFFFAOYSA-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

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Related Compounds

2-(naphthalen-1-ylmethylamino)propan-1-ol
CID 43499773
(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid
CID 18728959
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine
CID 63478165
N-(naphthalen-1-ylmethyl)thiohydroxylamine
CID 130243841
(1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 81403197
(1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 81357004
(2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 89057700
3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine
CID 57250877
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
(1R)-N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 81351365
(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 124823553

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine?
The IUPAC name of N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine (CID 66986622) is N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine?
The canonical SMILES for N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine is c1ccc(C(NCc2cccc3ccccc23)C(NCc2cccc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine?
The InChIKey is XANGKRYJCUWBHS-UHFFFAOYSA-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.
What are the key properties of N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine?
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 N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine is sourced from PubChem (CID 66986622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).