[4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium

C32H36N8O2+2 — CID 102126867

IUPAC[4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium
SMILES[N-]=[N+]=NCCOc1ccc(C[NH2+]Cc2ccc(-c3ccc(C[NH2+]Cc4ccc(OCCN=[N+]=[N-])cc4)cc3)cc2)cc1
InChIInChI=1S/C32H34N8O2/c33-39-37-17-19-41-31-13-5-27(6-14-31)23-35-21-25-1-9-29(10-2-25)30-11-3-26(4-12-30)22-36-24-28-7-15-32(16-8-28)42-20-18-38-40-34/h1-16,35-36H,17-24H2/p+2
InChIKeyNOGDZVKALFUTMI-UHFFFAOYSA-P
MW564.69 g/mol
LogP5.26
Rot. Bonds17

About [4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium

[4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium (PubChem CID 102126867) has the molecular formula C32H36N8O2+2 and a molecular weight of 564.69 g/mol. Its IUPAC name is [4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium.

Molecular Properties

Compound Name[4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium
PubChem CID102126867
Molecular FormulaC32H36N8O2+2
Molecular Weight564.69 g/mol
Exact Mass564.30
IUPAC Name[4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium
SMILES[N-]=[N+]=NCCOc1ccc(C[NH2+]Cc2ccc(-c3ccc(C[NH2+]Cc4ccc(OCCN=[N+]=[N-])cc4)cc3)cc2)cc1
InChIInChI=1S/C32H34N8O2/c33-39-37-17-19-41-31-13-5-27(6-14-31)23-35-21-25-1-9-29(10-2-25)30-11-3-26(4-12-30)22-36-24-28-7-15-32(16-8-28)42-20-18-38-40-34/h1-16,35-36H,17-24H2/p+2
InChIKeyNOGDZVKALFUTMI-UHFFFAOYSA-P
XLogP5.26
TPSA149.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium with MolForge

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Related Compounds

bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium
CID 102448547
1-(3-azidopropoxy)-4-propylbenzene
CID 62550685
1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 53348773
[4-(sulfanylmethyl)phenyl] 4-(2-azidoethoxy)benzoate
CID 166729841
4-(2-azidoethoxy)-1,2-dichlorobenzene
CID 61397043
(4-methylphenyl)methyl-[[4-(11-sulfanylundecoxy)phenyl]methyl]azanium
CID 102357955
5-[4-(3-azidopropoxy)phenyl]-1,3,4-thiadiazol-2-amine
CID 59154562
[3-(2-azidoethoxy)phenyl]methanol
CID 59552460
4-(2-azidoethoxy)-1-chloro-2-fluorobenzene
CID 82716995
1-(azidomethoxy)-4-methylbenzene
CID 14119265
(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
CID 8636190
4-(4-azidobutoxy)-2-ethyl-1-(4-ethylphenyl)benzene
CID 170211340

Frequently Asked Questions

What is the IUPAC name of [4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium?
The IUPAC name of [4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium (CID 102126867) is [4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium.
What is the SMILES notation for [4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium?
The canonical SMILES for [4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium is [N-]=[N+]=NCCOc1ccc(C[NH2+]Cc2ccc(-c3ccc(C[NH2+]Cc4ccc(OCCN=[N+]=[N-])cc4)cc3)cc2)cc1.
What is the InChIKey of [4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium?
The InChIKey is NOGDZVKALFUTMI-UHFFFAOYSA-P. The full InChI is InChI=1S/C32H34N8O2/c33-39-37-17-19-41-31-13-5-27(6-14-31)23-35-21-25-1-9-29(10-2-25)30-11-3-26(4-12-30)22-36-24-28-7-15-32(16-8-28)42-20-18-38-40-34/h1-16,35-36H,17-24H2/p+2.
What are the key properties of [4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium?
[4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium has a molecular weight of 564.69 g/mol, XLogP of 5.26, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium is sourced from PubChem (CID 102126867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).