4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine

C18H15N5O3 — CID 163625810

IUPAC4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine
SMILESNc1cc(N)c(Oc2ccccc2)cc1/N=N/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H15N5O3/c19-15-10-16(20)18(26-14-7-2-1-3-8-14)11-17(15)22-21-12-5-4-6-13(9-12)23(24)25/h1-11H,19-20H2/b22-21+
InChIKeyHRXHZYGQDDKXGO-QURGRASLSA-N
MW349.35 g/mol
LogP4.97
Rot. Bonds5

About 4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine

4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine (PubChem CID 163625810) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine.

Molecular Properties

Compound Name4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine
PubChem CID163625810
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine
SMILESNc1cc(N)c(Oc2ccccc2)cc1/N=N/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H15N5O3/c19-15-10-16(20)18(26-14-7-2-1-3-8-14)11-17(15)22-21-12-5-4-6-13(9-12)23(24)25/h1-11H,19-20H2/b22-21+
InChIKeyHRXHZYGQDDKXGO-QURGRASLSA-N
XLogP4.97
TPSA129.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

bis(3-nitrophenyl)diazene
CID 10858607
3-[(3-nitrophenyl)diazenyl]aniline
CID 54370732
4-(2,4-DIAMINO-5-(3-CHLORO-2-HO-5-NITRO-PHENYLAZO)-PHENOXY)-BENZOIC ACID, NA
CID 137228301
2,5-diphenoxybenzene-1,4-diamine
CID 139696987
4-chloro-6-[(3,5-dinitrophenyl)diazenyl]benzene-1,3-diamine
CID 87880039
2-(3-fluorophenoxy)-5-nitroaniline
CID 55079751
5-methoxy-2-nitro-4-phenyldiazenylaniline
CID 21393323
3-(aminomethyl)-6-[(3-nitrophenyl)diazenyl]benzene-1,2-dicarbonitrile
CID 139626752
2-[(4-nitrophenyl)diazenyl]aniline
CID 18955864
1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one
CID 71327652
2-[3-(2-amino-4-nitrophenoxy)phenyl]acetic acid
CID 59644634
5-nitro-2-[3-(trifluoromethyl)phenoxy]aniline
CID 62507654

Frequently Asked Questions

What is the IUPAC name of 4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine?
The IUPAC name of 4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine (CID 163625810) is 4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine.
What is the SMILES notation for 4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine?
The canonical SMILES for 4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine is Nc1cc(N)c(Oc2ccccc2)cc1/N=N/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine?
The InChIKey is HRXHZYGQDDKXGO-QURGRASLSA-N. The full InChI is InChI=1S/C18H15N5O3/c19-15-10-16(20)18(26-14-7-2-1-3-8-14)11-17(15)22-21-12-5-4-6-13(9-12)23(24)25/h1-11H,19-20H2/b22-21+.
What are the key properties of 4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine?
4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine has a molecular weight of 349.35 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine is sourced from PubChem (CID 163625810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).