(3-iodophenyl)-naphthalen-1-yldiazene

C16H11IN2 — CID 132533459

IUPAC(3-iodophenyl)-naphthalen-1-yldiazene
SMILESIc1cccc(/N=N/c2cccc3ccccc23)c1
InChIInChI=1S/C16H11IN2/c17-13-7-4-8-14(11-13)18-19-16-10-3-6-12-5-1-2-9-15(12)16/h1-11H/b19-18+
InChIKeyCHKHHVUWBJYIKJ-VHEBQXMUSA-N
MW358.18 g/mol
LogP5.86
Rot. Bonds2

About (3-iodophenyl)-naphthalen-1-yldiazene

(3-iodophenyl)-naphthalen-1-yldiazene (PubChem CID 132533459) has the molecular formula C16H11IN2 and a molecular weight of 358.18 g/mol. Its IUPAC name is (3-iodophenyl)-naphthalen-1-yldiazene.

Molecular Properties

Compound Name(3-iodophenyl)-naphthalen-1-yldiazene
PubChem CID132533459
Molecular FormulaC16H11IN2
Molecular Weight358.18 g/mol
Exact Mass358.00
IUPAC Name(3-iodophenyl)-naphthalen-1-yldiazene
SMILESIc1cccc(/N=N/c2cccc3ccccc23)c1
InChIInChI=1S/C16H11IN2/c17-13-7-4-8-14(11-13)18-19-16-10-3-6-12-5-1-2-9-15(12)16/h1-11H/b19-18+
InChIKeyCHKHHVUWBJYIKJ-VHEBQXMUSA-N
XLogP5.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.18
LogP ≤ 55.86
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

CID 175078571
CID 175078571
ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 91607155
(4-methylphenyl)-naphthalen-1-yldiazene
CID 20700715
(2-bromophenyl)-naphthalen-1-yldiazene
CID 581691
di(phenanthren-3-yl)diazene
CID 10786148
naphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene
CID 173000934
methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene
CID 21337324
(3-chlorophenyl)-(2-iodophenyl)diazene
CID 142736178
(3-bromophenyl)-(2-iodophenyl)diazene
CID 142736144
[2-(naphthalen-1-yldiazenyl)phenyl]methanamine
CID 161282982
3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide
CID 15539622
phenyl-(1-phenyldiazenylnaphthalen-2-yl)diazene
CID 22616925

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-naphthalen-1-yldiazene?
The IUPAC name of (3-iodophenyl)-naphthalen-1-yldiazene (CID 132533459) is (3-iodophenyl)-naphthalen-1-yldiazene.
What is the SMILES notation for (3-iodophenyl)-naphthalen-1-yldiazene?
The canonical SMILES for (3-iodophenyl)-naphthalen-1-yldiazene is Ic1cccc(/N=N/c2cccc3ccccc23)c1.
What is the InChIKey of (3-iodophenyl)-naphthalen-1-yldiazene?
The InChIKey is CHKHHVUWBJYIKJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H11IN2/c17-13-7-4-8-14(11-13)18-19-16-10-3-6-12-5-1-2-9-15(12)16/h1-11H/b19-18+.
What are the key properties of (3-iodophenyl)-naphthalen-1-yldiazene?
(3-iodophenyl)-naphthalen-1-yldiazene has a molecular weight of 358.18 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-naphthalen-1-yldiazene is sourced from PubChem (CID 132533459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).