naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride

C28H38Cl4N4 — CID 11766965

IUPACnaphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].c1ccc2c(C[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]Cc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C28H34N4.4ClH/c1-3-13-27-23(7-1)9-5-11-25(27)21-31-19-17-29-15-16-30-18-20-32-22-26-12-6-10-24-8-2-4-14-28(24)26;;;;/h1-14,29-32H,15-22H2;4*1H
InChIKeyQCTLRXBTBDRDCS-UHFFFAOYSA-N
MW572.45 g/mol
LogP-12.04
Rot. Bonds13

About naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride

naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride (PubChem CID 11766965) has the molecular formula C28H38Cl4N4 and a molecular weight of 572.45 g/mol. Its IUPAC name is naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride
PubChem CID11766965
Molecular FormulaC28H38Cl4N4
Molecular Weight572.45 g/mol
Exact Mass570.19
IUPAC Namenaphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].c1ccc2c(C[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]Cc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C28H34N4.4ClH/c1-3-13-27-23(7-1)9-5-11-25(27)21-31-19-17-29-15-16-30-18-20-32-22-26-12-6-10-24-8-2-4-14-28(24)26;;;;/h1-14,29-32H,15-22H2;4*1H
InChIKeyQCTLRXBTBDRDCS-UHFFFAOYSA-N
XLogP-12.04
TPSA66.44 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.45
LogP ≤ 5-12.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride with MolForge

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Related Compounds

bis(naphthalen-1-ylmethyl)azanium
CID 4663788
naphthalen-1-ylmethyl(pyridin-2-ylmethyl)azanium
CID 7480921
naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
CID 7452688
CID 66760372
CID 66760372
[(2R)-1-hydroxybutan-2-yl]-(naphthalen-1-ylmethyl)azanium
CID 7322192
CID 57419547
CID 57419547
azane;1-ethylnaphthalene
CID 19048185
2-azaniumylethyl-[2-[[3-[[2-(2-azaniumylethylazaniumyl)ethylazaniumyl]methyl]-2-hydroxyphenyl]methylazaniumyl]ethyl]azanium hexabromide
CID 10865701
sodium;1-ethylnaphthalene;hydride
CID 174300793
N-(naphthalen-1-ylmethyl)thiohydroxylamine
CID 130243841
[hydroxy(diphosphono)methyl]-(naphthalen-1-ylmethyl)azanium
CID 5276548
(2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2162907

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride?
The IUPAC name of naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride (CID 11766965) is naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride.
What is the SMILES notation for naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride?
The canonical SMILES for naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride is [Cl-].[Cl-].[Cl-].[Cl-].c1ccc2c(C[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]Cc3cccc4ccccc34)cccc2c1.
What is the InChIKey of naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride?
The InChIKey is QCTLRXBTBDRDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4.4ClH/c1-3-13-27-23(7-1)9-5-11-25(27)21-31-19-17-29-15-16-30-18-20-32-22-26-12-6-10-24-8-2-4-14-28(24)26;;;;/h1-14,29-32H,15-22H2;4*1H.
What are the key properties of naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride?
naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride has a molecular weight of 572.45 g/mol, XLogP of -12.04, 13 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride is sourced from PubChem (CID 11766965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).