[4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite

C34H22I2S — CID 170291557

IUPAC[4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite
SMILESISc1ccc(-c2ccc(-c3ccc4ccc(-c5ccc(-c6ccc(I)cc6)cc5)cc4c3)cc2)cc1
InChIInChI=1S/C34H22I2S/c35-33-17-13-25(14-18-33)23-1-5-27(6-2-23)30-11-9-29-10-12-31(22-32(29)21-30)28-7-3-24(4-8-28)26-15-19-34(37-36)20-16-26/h1-22H
InChIKeyZPTSUCWZIPNDSS-UHFFFAOYSA-N
MW716.43 g/mol
LogP11.55
Rot. Bonds5

About [4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite

[4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite (PubChem CID 170291557) has the molecular formula C34H22I2S and a molecular weight of 716.43 g/mol. Its IUPAC name is [4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite.

Molecular Properties

Compound Name[4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite
PubChem CID170291557
Molecular FormulaC34H22I2S
Molecular Weight716.43 g/mol
Exact Mass715.95
IUPAC Name[4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite
SMILESISc1ccc(-c2ccc(-c3ccc4ccc(-c5ccc(-c6ccc(I)cc6)cc5)cc4c3)cc2)cc1
InChIInChI=1S/C34H22I2S/c35-33-17-13-25(14-18-33)23-1-5-27(6-2-23)30-11-9-29-10-12-31(22-32(29)21-30)28-7-3-24(4-8-28)26-15-19-34(37-36)20-16-26/h1-22H
InChIKeyZPTSUCWZIPNDSS-UHFFFAOYSA-N
XLogP11.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.43
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-[6-(4-iodosulfanylphenyl)naphthalen-2-yl]phenyl]phenyl] thiohypoiodite
CID 170289466
5-[7-(4-iodophenyl)naphthalen-2-yl]-2-(4-methylphenyl)pyridine
CID 170290982
2-(3,5-dibromophenyl)-6-iodonaphthalene
CID 121450064
4-(6-iodonaphthalen-2-yl)pyridine
CID 155054482
1-bromo-4-iodobenzene;2-(4-bromophenyl)naphthalene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 161268900
4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 118133256
3-iodo-5-[6-[6-(5-iodo-3-pyridinyl)naphthalen-2-yl]sulfanylnaphthalen-2-yl]pyridine
CID 155469367
2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene
CID 170291260
1,4-diiodobenzene;2,6-diiodonaphthalene
CID 70426003
1,4-bis[(4-iodophenyl)sulfanyl]benzene
CID 102405852
7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline
CID 170295713
[4-[4-[[4-(4-iodosulfanylphenyl)phenyl]-[4-(4-methylphenyl)phenyl]boranyl]phenyl]phenyl] thiohypoiodite
CID 174244084

Frequently Asked Questions

What is the IUPAC name of [4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite?
The IUPAC name of [4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite (CID 170291557) is [4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite.
What is the SMILES notation for [4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite?
The canonical SMILES for [4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite is ISc1ccc(-c2ccc(-c3ccc4ccc(-c5ccc(-c6ccc(I)cc6)cc5)cc4c3)cc2)cc1.
What is the InChIKey of [4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite?
The InChIKey is ZPTSUCWZIPNDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22I2S/c35-33-17-13-25(14-18-33)23-1-5-27(6-2-23)30-11-9-29-10-12-31(22-32(29)21-30)28-7-3-24(4-8-28)26-15-19-34(37-36)20-16-26/h1-22H.
What are the key properties of [4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite?
[4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite has a molecular weight of 716.43 g/mol, XLogP of 11.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite is sourced from PubChem (CID 170291557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).