bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium

C32H36N8O8V — CID 171731418

IUPACbis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium
SMILESCCN(CC)c1ccc(/N=N\c2ccc([N+](=O)[O-])cc2O)c(O)c1.CCN(CC)c1ccc(/N=N\c2ccc([N+](=O)[O-])cc2O)c(O)c1.[V]
InChIInChI=1S/2C16H18N4O4.V/c2*1-3-19(4-2)11-5-7-13(15(21)9-11)17-18-14-8-6-12(20(23)24)10-16(14)22;/h2*5-10,21-22H,3-4H2,1-2H3;/b2*18-17-;
InChIKeyISFWRELOYDFAIJ-PTZSQULPSA-N
MW711.63 g/mol
LogP8.53
Rot. Bonds12

About bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium

bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium (PubChem CID 171731418) has the molecular formula C32H36N8O8V and a molecular weight of 711.63 g/mol. Its IUPAC name is bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium.

Molecular Properties

Compound Namebis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium
PubChem CID171731418
Molecular FormulaC32H36N8O8V
Molecular Weight711.63 g/mol
Exact Mass711.21
IUPAC Namebis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium
SMILESCCN(CC)c1ccc(/N=N\c2ccc([N+](=O)[O-])cc2O)c(O)c1.CCN(CC)c1ccc(/N=N\c2ccc([N+](=O)[O-])cc2O)c(O)c1.[V]
InChIInChI=1S/2C16H18N4O4.V/c2*1-3-19(4-2)11-5-7-13(15(21)9-11)17-18-14-8-6-12(20(23)24)10-16(14)22;/h2*5-10,21-22H,3-4H2,1-2H3;/b2*18-17-;
InChIKeyISFWRELOYDFAIJ-PTZSQULPSA-N
XLogP8.53
TPSA223.12 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500711.63
LogP ≤ 58.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol
CID 135608350
5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol
CID 163433155
5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol
CID 137081566
2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol
CID 101422074
3-[3-hydroxy-4-[(4-nitrophenyl)diazenyl]-N-(3-sulfopropyl)anilino]propane-1-sulfonic acid
CID 136882825
2-[N-(2-acetyloxyethyl)-4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate;isocyanic acid
CID 159643523
2-[3-acetamido-N-(2-acetyloxyethyl)-4-[(2-hydroxy-4-nitrophenyl)diazenyl]anilino]ethyl propanoate
CID 135772761
5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135559916
N,N-diethyl-4-(4-nitrophenyl)aniline
CID 21449597
2-[[4-(diethylamino)-2-methoxyphenyl]diazenyl]-5-nitrobenzene-1,3-dicarbonitrile
CID 20605739
5-(diethylamino)-2-[2-(4-nitroanilino)ethyliminomethyl]phenol
CID 135710907
4-[(2,4-dinitrophenyl)iminomethyl]-N,N-diethylaniline
CID 102398892

Frequently Asked Questions

What is the IUPAC name of bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium?
The IUPAC name of bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium (CID 171731418) is bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium.
What is the SMILES notation for bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium?
The canonical SMILES for bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium is CCN(CC)c1ccc(/N=N\c2ccc([N+](=O)[O-])cc2O)c(O)c1.CCN(CC)c1ccc(/N=N\c2ccc([N+](=O)[O-])cc2O)c(O)c1.[V].
What is the InChIKey of bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium?
The InChIKey is ISFWRELOYDFAIJ-PTZSQULPSA-N. The full InChI is InChI=1S/2C16H18N4O4.V/c2*1-3-19(4-2)11-5-7-13(15(21)9-11)17-18-14-8-6-12(20(23)24)10-16(14)22;/h2*5-10,21-22H,3-4H2,1-2H3;/b2*18-17-;.
What are the key properties of bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium?
bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium has a molecular weight of 711.63 g/mol, XLogP of 8.53, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium is sourced from PubChem (CID 171731418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).