(2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene

C23H19N3O2 — CID 118100515

IUPAC(2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene
SMILESCc1ccc2ccccc2c1/N=N/c1c(C)cc(C)c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C23H19N3O2/c1-14-8-9-17-6-4-5-7-19(17)22(14)24-25-23-16(3)12-15(2)21-13-18(26(27)28)10-11-20(21)23/h4-13H,1-3H3/b25-24+
InChIKeyLUQBRUCEMQDEGY-OCOZRVBESA-N
MW369.42 g/mol
LogP7.24
Rot. Bonds3

About (2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene

(2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene (PubChem CID 118100515) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene.

Molecular Properties

Compound Name(2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene
PubChem CID118100515
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name(2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene
SMILESCc1ccc2ccccc2c1/N=N/c1c(C)cc(C)c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C23H19N3O2/c1-14-8-9-17-6-4-5-7-19(17)22(14)24-25-23-16(3)12-15(2)21-13-18(26(27)28)10-11-20(21)23/h4-13H,1-3H3/b25-24+
InChIKeyLUQBRUCEMQDEGY-OCOZRVBESA-N
XLogP7.24
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze (2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-carbaldehyde
CID 139556597
1-methyl-4-nitrobenzene;3-methylphenanthrene
CID 91179240
chromium(3+);7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydrate
CID 170853738
3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate
CID 135573948
chromium(3+);7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;trihydrate
CID 170854303
chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide
CID 165360776
(2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene
CID 14062040
cobalt(3+);1-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalen-2-olate;6-nitro-1-[(2-oxidonaphthalen-1-yl)diazenyl]-4-sulfonaphthalen-2-olate
CID 170841740
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
CID 19238
sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
CID 86290247
1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;iron
CID 167455353
disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 156599392

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene?
The IUPAC name of (2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene (CID 118100515) is (2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene.
What is the SMILES notation for (2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene?
The canonical SMILES for (2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene is Cc1ccc2ccccc2c1/N=N/c1c(C)cc(C)c2cc([N+](=O)[O-])ccc12.
What is the InChIKey of (2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene?
The InChIKey is LUQBRUCEMQDEGY-OCOZRVBESA-N. The full InChI is InChI=1S/C23H19N3O2/c1-14-8-9-17-6-4-5-7-19(17)22(14)24-25-23-16(3)12-15(2)21-13-18(26(27)28)10-11-20(21)23/h4-13H,1-3H3/b25-24+.
What are the key properties of (2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene?
(2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene has a molecular weight of 369.42 g/mol, XLogP of 7.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-6-nitronaphthalen-1-yl)-(2-methylnaphthalen-1-yl)diazene is sourced from PubChem (CID 118100515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).