(2,6-dimethylphenyl)-(4-iodophenyl)diazene

C14H13IN2 — CID 141484740

IUPAC(2,6-dimethylphenyl)-(4-iodophenyl)diazene
SMILESCc1cccc(C)c1/N=N/c1ccc(I)cc1
InChIInChI=1S/C14H13IN2/c1-10-4-3-5-11(2)14(10)17-16-13-8-6-12(15)7-9-13/h3-9H,1-2H3/b17-16+
InChIKeyWLKCUUKAICGRPD-WUKNDPDISA-N
MW336.18 g/mol
LogP5.32
Rot. Bonds2

About (2,6-dimethylphenyl)-(4-iodophenyl)diazene

(2,6-dimethylphenyl)-(4-iodophenyl)diazene (PubChem CID 141484740) has the molecular formula C14H13IN2 and a molecular weight of 336.18 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-(4-iodophenyl)diazene.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-(4-iodophenyl)diazene
PubChem CID141484740
Molecular FormulaC14H13IN2
Molecular Weight336.18 g/mol
Exact Mass336.01
IUPAC Name(2,6-dimethylphenyl)-(4-iodophenyl)diazene
SMILESCc1cccc(C)c1/N=N/c1ccc(I)cc1
InChIInChI=1S/C14H13IN2/c1-10-4-3-5-11(2)14(10)17-16-13-8-6-12(15)7-9-13/h3-9H,1-2H3/b17-16+
InChIKeyWLKCUUKAICGRPD-WUKNDPDISA-N
XLogP5.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.18
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

bis(4-iodophenyl)diazene
CID 3544718
4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 968539
N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline
CID 86015373
(4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 125475798
4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline
CID 102503895
4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
CID 577894
1-[4-[(2,6-dimethylphenyl)diazenyl]phenyl]pyrrolidin-3-amine
CID 141039405
(4-iodophenyl)-(4-propan-2-yloxyphenyl)diazene
CID 102032062
bis(4-methylphenyl)diazene
CID 10389
bis[4-[(4-butylphenyl)diazenyl]-3,5-dimethylphenyl]diazene
CID 100995300
1-(4-iodophenyl)-2,3-dimethylbenzene
CID 20871963
(2,6-dimethylphenyl)iminotitanium(2+)
CID 11384908

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-(4-iodophenyl)diazene?
The IUPAC name of (2,6-dimethylphenyl)-(4-iodophenyl)diazene (CID 141484740) is (2,6-dimethylphenyl)-(4-iodophenyl)diazene.
What is the SMILES notation for (2,6-dimethylphenyl)-(4-iodophenyl)diazene?
The canonical SMILES for (2,6-dimethylphenyl)-(4-iodophenyl)diazene is Cc1cccc(C)c1/N=N/c1ccc(I)cc1.
What is the InChIKey of (2,6-dimethylphenyl)-(4-iodophenyl)diazene?
The InChIKey is WLKCUUKAICGRPD-WUKNDPDISA-N. The full InChI is InChI=1S/C14H13IN2/c1-10-4-3-5-11(2)14(10)17-16-13-8-6-12(15)7-9-13/h3-9H,1-2H3/b17-16+.
What are the key properties of (2,6-dimethylphenyl)-(4-iodophenyl)diazene?
(2,6-dimethylphenyl)-(4-iodophenyl)diazene has a molecular weight of 336.18 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-(4-iodophenyl)diazene is sourced from PubChem (CID 141484740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).