2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine

C51H46N4 — CID 10985405

IUPAC2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine
SMILESc1ccc2c(CNCCN3CCN(CCNCc4c5ccccc5cc5ccccc45)C3c3c4ccccc4cc4ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C51H46N4/c1-7-19-42-36(13-1)31-37-14-2-8-20-43(37)48(42)34-52-25-27-54-29-30-55(51(54)50-46-23-11-5-17-40(46)33-41-18-6-12-24-47(41)50)28-26-53-35-49-44-21-9-3-15-38(44)32-39-16-4-10-22-45(39)49/h1-24,31-33,51-53H,25-30,34-35H2
InChIKeyLRQBEJLTXKDHDZ-UHFFFAOYSA-N
MW714.96 g/mol
LogP10.80
Rot. Bonds11

About 2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine

2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine (PubChem CID 10985405) has the molecular formula C51H46N4 and a molecular weight of 714.96 g/mol. Its IUPAC name is 2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine
PubChem CID10985405
Molecular FormulaC51H46N4
Molecular Weight714.96 g/mol
Exact Mass714.37
IUPAC Name2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine
SMILESc1ccc2c(CNCCN3CCN(CCNCc4c5ccccc5cc5ccccc45)C3c3c4ccccc4cc4ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C51H46N4/c1-7-19-42-36(13-1)31-37-14-2-8-20-43(37)48(42)34-52-25-27-54-29-30-55(51(54)50-46-23-11-5-17-40(46)33-41-18-6-12-24-47(41)50)28-26-53-35-49-44-21-9-3-15-38(44)32-39-16-4-10-22-45(39)49/h1-24,31-33,51-53H,25-30,34-35H2
InChIKeyLRQBEJLTXKDHDZ-UHFFFAOYSA-N
XLogP10.80
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.96
LogP ≤ 510.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine 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

9,10-Anthracenedimethanamine, N,N'-bis(2-(dimethylamino)ethyl)-
CID 60242
1-[[3-(1,4,8,11-Tetrazacyclotetradec-1-ylmethyl)-1-naphthyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 460353
N'-[4-[4-(9-anthrylmethylamino)butylamino]butyl]butane-1,4-diamine
CID 10875457
1-(2-(Naphthalen-2-yl)-1-phenylethyl)piperazine
CID 44414860
N'-[[10-[(2-aminoethylamino)methyl]-9-anthryl]methyl]ethane-1,2-diamine
CID 368319
1-ethyl-N-[[10-[[(1-ethylpiperidin-3-yl)amino]methyl]anthracen-9-yl]methyl]piperidin-3-amine
CID 360269
N-(3-aminopropyl)-N'-[3-(anthracen-9-ylmethylamino)propyl]butane-1,4-diamine
CID 10962556
N-(4-Amino-butyl)-N'-pyren-1-ylmethyl-butane-1,4-diamine Trihydrochloride
CID 11547534
N-(4-aminobutyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine
CID 10406428
N-(4-aminobutyl)-N'-[3-(anthracen-9-ylmethylamino)propyl]pentane-1,5-diamine
CID 10864699
N'-[3-[3-(anthracen-9-ylmethylamino)propylamino]propyl]butane-1,4-diamine
CID 10907622
N-[4-(4-aminobutylamino)butyl]-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine
CID 10929931

Frequently Asked Questions

What is the IUPAC name of 2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine?
The IUPAC name of 2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine (CID 10985405) is 2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine.
What is the SMILES notation for 2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine?
The canonical SMILES for 2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine is c1ccc2c(CNCCN3CCN(CCNCc4c5ccccc5cc5ccccc45)C3c3c4ccccc4cc4ccccc34)c3ccccc3cc2c1.
What is the InChIKey of 2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine?
The InChIKey is LRQBEJLTXKDHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H46N4/c1-7-19-42-36(13-1)31-37-14-2-8-20-43(37)48(42)34-52-25-27-54-29-30-55(51(54)50-46-23-11-5-17-40(46)33-41-18-6-12-24-47(41)50)28-26-53-35-49-44-21-9-3-15-38(44)32-39-16-4-10-22-45(39)49/h1-24,31-33,51-53H,25-30,34-35H2.
What are the key properties of 2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine?
2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine has a molecular weight of 714.96 g/mol, XLogP of 10.80, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-anthracen-9-yl-3-[2-(anthracen-9-ylmethylamino)ethyl]imidazolidin-1-yl]-N-(anthracen-9-ylmethyl)ethanamine is sourced from PubChem (CID 10985405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).