4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine

C18H16IN3 — CID 102032066

IUPAC4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1ccc(/N=N/c2ccc(I)cc2)c2ccccc12
InChIInChI=1S/C18H16IN3/c1-22(2)18-12-11-17(15-5-3-4-6-16(15)18)21-20-14-9-7-13(19)8-10-14/h3-12H,1-2H3/b21-20+
InChIKeyORTCNBPAYZFRIW-QZQOTICOSA-N
MW401.25 g/mol
LogP5.93
Rot. Bonds3

About 4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine

4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine (PubChem CID 102032066) has the molecular formula C18H16IN3 and a molecular weight of 401.25 g/mol. Its IUPAC name is 4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine
PubChem CID102032066
Molecular FormulaC18H16IN3
Molecular Weight401.25 g/mol
Exact Mass401.04
IUPAC Name4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1ccc(/N=N/c2ccc(I)cc2)c2ccccc12
InChIInChI=1S/C18H16IN3/c1-22(2)18-12-11-17(15-5-3-4-6-16(15)18)21-20-14-9-7-13(19)8-10-14/h3-12H,1-2H3/b21-20+
InChIKeyORTCNBPAYZFRIW-QZQOTICOSA-N
XLogP5.93
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.25
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chlorophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine
CID 71361497
4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
CID 577894
bis(4-iodophenyl)diazene
CID 3544718
CID 59885752
CID 59885752
methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 89279758
4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride
CID 14513518
N-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline
CID 118284525
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
CID 88557770
2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline
CID 170987598
1-hydroxy-4-[(4-iodophenyl)diazenyl]naphthalene-2-carboxylic acid
CID 171384089
ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 91607155
4-(dimethylamino)naphthalene-1-carboxylate
CID 7005026

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine?
The IUPAC name of 4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine (CID 102032066) is 4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine is CN(C)c1ccc(/N=N/c2ccc(I)cc2)c2ccccc12.
What is the InChIKey of 4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine?
The InChIKey is ORTCNBPAYZFRIW-QZQOTICOSA-N. The full InChI is InChI=1S/C18H16IN3/c1-22(2)18-12-11-17(15-5-3-4-6-16(15)18)21-20-14-9-7-13(19)8-10-14/h3-12H,1-2H3/b21-20+.
What are the key properties of 4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine?
4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine has a molecular weight of 401.25 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 102032066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).