N-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine

C23H18N4O2 — CID 14549983

IUPACN-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
SMILESCc1ccc(Nc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1
InChIInChI=1S/C23H18N4O2/c1-16-6-8-17(9-7-16)24-22-14-15-23(21-5-3-2-4-20(21)22)26-25-18-10-12-19(13-11-18)27(28)29/h2-15,24H,1H3/b26-25+
InChIKeyAMBRSKBJFAJLOU-OCEACIFDSA-N
MW382.42 g/mol
LogP7.22
Rot. Bonds5

About N-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine

N-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine (PubChem CID 14549983) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
PubChem CID14549983
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
SMILESCc1ccc(Nc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1
InChIInChI=1S/C23H18N4O2/c1-16-6-8-17(9-7-16)24-22-14-15-23(21-5-3-2-4-20(21)22)26-25-18-10-12-19(13-11-18)27(28)29/h2-15,24H,1H3/b26-25+
InChIKeyAMBRSKBJFAJLOU-OCEACIFDSA-N
XLogP7.22
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 57.22
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

disodium bis(2-[4-[[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]oxysulfonylnaphthalen-1-yl]diazenyl]anilino]-5-nitrobenzenesulfonate)
CID 90477490
(4-nitrophenyl)-phenyldiazene
CID 17222
N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline
CID 163545972
1-(4-methylphenyl)-2-(4-nitrophenyl)-3-phenylguanidine
CID 136768349
4-methylbenzenesulfonic acid;(4-nitrophenyl)-phenyldiazene
CID 174911853
N-(4-nitrophenyl)-2-nitrosoaniline
CID 14968784
2-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]-5-[[4-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]phenyl]diazenyl]benzenesulfonic acid
CID 118052044
N-iodo-4-[(4-nitrophenyl)diazenyl]aniline
CID 145350386
1H-indol-3-yl-(4-nitrophenyl)diazene
CID 135447734
2-[(4-nitrophenyl)diazenyl]aniline
CID 18955864
2-methyl-6-[(4-nitrophenyl)diazenyl]phenol
CID 135789847
N-(4-methylphenyl)-2-(4-nitrophenyl)quinazolin-4-amine
CID 1187236

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine?
The IUPAC name of N-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine (CID 14549983) is N-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine is Cc1ccc(Nc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine?
The InChIKey is AMBRSKBJFAJLOU-OCEACIFDSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-16-6-8-17(9-7-16)24-22-14-15-23(21-5-3-2-4-20(21)22)26-25-18-10-12-19(13-11-18)27(28)29/h2-15,24H,1H3/b26-25+.
What are the key properties of N-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine?
N-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine has a molecular weight of 382.42 g/mol, XLogP of 7.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine is sourced from PubChem (CID 14549983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).