[4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite

C28H18I2S2 — CID 170289466

IUPAC[4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite
SMILESISc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(SI)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C28H18I2S2/c29-31-27-13-9-20(10-14-27)19-1-3-21(4-2-19)23-5-7-26-18-24(6-8-25(26)17-23)22-11-15-28(32-30)16-12-22/h1-18H
InChIKeyAPKWMDRKHJFQET-UHFFFAOYSA-N
MW672.39 g/mol
LogP10.73
Rot. Bonds5

About [4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite

[4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite (PubChem CID 170289466) has the molecular formula C28H18I2S2 and a molecular weight of 672.39 g/mol. Its IUPAC name is [4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite.

Molecular Properties

Compound Name[4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite
PubChem CID170289466
Molecular FormulaC28H18I2S2
Molecular Weight672.39 g/mol
Exact Mass671.89
IUPAC Name[4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite
SMILESISc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(SI)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C28H18I2S2/c29-31-27-13-9-20(10-14-27)19-1-3-21(4-2-19)23-5-7-26-18-24(6-8-25(26)17-23)22-11-15-28(32-30)16-12-22/h1-18H
InChIKeyAPKWMDRKHJFQET-UHFFFAOYSA-N
XLogP10.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.39
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite 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

[4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite
CID 170291557
2,7-diphenylanthracene
CID 154020316
benzo[f]azulene
CID 13065869
3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine
CID 155469367
6-(4-hydroxyphenyl)naphthalen-2-ol;methane
CID 69476314
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
4-(6-iodonaphthalen-2-yl)pyridine
CID 155054482
2,4-diphenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166737815
2-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]sulfanylphenyl]-2,6-dinaphthalen-2-ylpyrimidine
CID 140904971
heptadecacyclo[59.3.1.12,6.113,17.118,22.129,33.134,38.145,49.150,54.05,10.09,14.021,26.025,30.037,42.041,46.053,58.057,62]doheptaconta-1(65),2(72),3,5,7,9,11,13,15,17(71),18(70),19,21,23,25,27,29,31,33(69),34(68),35,37,39,41,43,45,47,49(67),50(66),51,53,55,57,59,61,63-hexatriacontaene
CID 164669270
3-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanylpropanoic acid
CID 141142215

Frequently Asked Questions

What is the IUPAC name of [4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite?
The IUPAC name of [4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite (CID 170289466) is [4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite.
What is the SMILES notation for [4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite?
The canonical SMILES for [4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite is ISc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(SI)cc5)ccc4c3)cc2)cc1.
What is the InChIKey of [4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite?
The InChIKey is APKWMDRKHJFQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18I2S2/c29-31-27-13-9-20(10-14-27)19-1-3-21(4-2-19)23-5-7-26-18-24(6-8-25(26)17-23)22-11-15-28(32-30)16-12-22/h1-18H.
What are the key properties of [4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite?
[4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite has a molecular weight of 672.39 g/mol, XLogP of 10.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite is sourced from PubChem (CID 170289466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).