1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene

C18H15N5O2 — CID 70479736

IUPAC1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(/N=N/NN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N5O2/c24-23(25)18-13-11-15(12-14-18)19-20-21-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,19,21)
InChIKeyQAORGPVFAKMKBZ-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.94
Rot. Bonds6

About 1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene

1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene (PubChem CID 70479736) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene.

Molecular Properties

Compound Name1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene
PubChem CID70479736
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(/N=N/NN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N5O2/c24-23(25)18-13-11-15(12-14-18)19-20-21-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,19,21)
InChIKeyQAORGPVFAKMKBZ-UHFFFAOYSA-N
XLogP4.94
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(4-nitrophenyl)-phenyldiazene
CID 17222
2-chloro-1-(4-nitrophenyl)-1-phenylhydrazine
CID 88837156
2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1-phenoxy-1-phenylhydrazine
CID 91271112
(4-nitrophenyl)-(2-phenylethynyl)diazene
CID 134901679
methyl-(4-nitrophenyl)diazene
CID 20760343
2-[(4-nitrophenyl)diazenyl]aniline
CID 18955864
N-methyl-4-nitro-N-phenylaniline
CID 11287619
(4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene
CID 22625442
N-iodo-4-[(4-nitrophenyl)diazenyl]aniline
CID 145350386
benzene;iron;nitrobenzene
CID 174446919
calcium nitrobenzene
CID 67916702
azane;nitrobenzene
CID 23197461

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene?
The IUPAC name of 1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene (CID 70479736) is 1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene.
What is the SMILES notation for 1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene?
The canonical SMILES for 1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene is O=[N+]([O-])c1ccc(/N=N/NN(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene?
The InChIKey is QAORGPVFAKMKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c24-23(25)18-13-11-15(12-14-18)19-20-21-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,19,21).
What are the key properties of 1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene?
1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene has a molecular weight of 333.35 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene is sourced from PubChem (CID 70479736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).