4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium

C27H30N4O4+2 — CID 3343157

IUPAC4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium
SMILESCCOc1cc(C(c2ccccc2)c2cc(OCC)c([N+]#N)cc2OCC)c(OCC)cc1[N+]#N
InChIInChI=1S/C27H30N4O4/c1-5-32-23-16-21(30-28)25(34-7-3)14-19(23)27(18-12-10-9-11-13-18)20-15-26(35-8-4)22(31-29)17-24(20)33-6-2/h9-17,27H,5-8H2,1-4H3/q+2
InChIKeyIJXNMSNSJRHDQL-UHFFFAOYSA-N
MW474.56 g/mol
LogP7.43
Rot. Bonds11

About 4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium

4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium (PubChem CID 3343157) has the molecular formula C27H30N4O4+2 and a molecular weight of 474.56 g/mol. Its IUPAC name is 4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium.

Molecular Properties

Compound Name4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium
PubChem CID3343157
Molecular FormulaC27H30N4O4+2
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium
SMILESCCOc1cc(C(c2ccccc2)c2cc(OCC)c([N+]#N)cc2OCC)c(OCC)cc1[N+]#N
InChIInChI=1S/C27H30N4O4/c1-5-32-23-16-21(30-28)25(34-7-3)14-19(23)27(18-12-10-9-11-13-18)20-15-26(35-8-4)22(31-29)17-24(20)33-6-2/h9-17,27H,5-8H2,1-4H3/q+2
InChIKeyIJXNMSNSJRHDQL-UHFFFAOYSA-N
XLogP7.43
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-(benzylamino)-2,5-diethoxybenzenediazonium chloride
CID 21441178
4-(dibenzoylamino)-2,5-diethoxybenzenediazonium
CID 21118135
2,5-diethoxy-4-phenoxybenzenediazonium;hydrogen sulfate
CID 86032613
2-benzhydryl-4-ethoxyaniline
CID 174855019
[(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride
CID 121438268
N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide
CID 51308652
2-(2-ethoxyphenoxy)-1-phenylethanol
CID 60730563
bis(2,5-diethoxy-4-(4-ethoxyphenyl)benzenediazonium);sulfate
CID 87876029
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
4-[chloro(phenyl)methyl]-1,2-diethoxybenzene
CID 61080986
[(3,4-diethoxyphenyl)-phenylmethyl]azanium
CID 4712217
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579

Frequently Asked Questions

What is the IUPAC name of 4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium?
The IUPAC name of 4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium (CID 3343157) is 4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium.
What is the SMILES notation for 4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium?
The canonical SMILES for 4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium is CCOc1cc(C(c2ccccc2)c2cc(OCC)c([N+]#N)cc2OCC)c(OCC)cc1[N+]#N.
What is the InChIKey of 4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium?
The InChIKey is IJXNMSNSJRHDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-5-32-23-16-21(30-28)25(34-7-3)14-19(23)27(18-12-10-9-11-13-18)20-15-26(35-8-4)22(31-29)17-24(20)33-6-2/h9-17,27H,5-8H2,1-4H3/q+2.
What are the key properties of 4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium?
4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium has a molecular weight of 474.56 g/mol, XLogP of 7.43, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-diazonio-2,5-diethoxyphenyl)-phenylmethyl]-2,5-diethoxybenzenediazonium is sourced from PubChem (CID 3343157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).