3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium

C22H16I2N2O8Re2-14 — CID 139185700

IUPAC3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium
SMILESC[n+]1ccc(C#Cc2cccc(C#Cc3cc[n+](C)cc3I)c2)c(I)c1.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Re].[Re]
InChIInChI=1S/C22H16I2N2.8O.2Re/c1-25-12-10-19(21(23)15-25)8-6-17-4-3-5-18(14-17)7-9-20-11-13-26(2)16-22(20)24;;;;;;;;;;/h3-5,10-16H,1-2H3;;;;;;;;;;/q+2;8*-2;;
InChIKeyHBWRPFVKUSADBO-UHFFFAOYSA-N
MW1062.60 g/mol
LogP2.39
Rot. Bonds

About 3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium

3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium (PubChem CID 139185700) has the molecular formula C22H16I2N2O8Re2-14 and a molecular weight of 1062.60 g/mol. Its IUPAC name is 3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium.

Molecular Properties

Compound Name3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium
PubChem CID139185700
Molecular FormulaC22H16I2N2O8Re2-14
Molecular Weight1062.60 g/mol
Exact Mass1063.82
IUPAC Name3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium
SMILESC[n+]1ccc(C#Cc2cccc(C#Cc3cc[n+](C)cc3I)c2)c(I)c1.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Re].[Re]
InChIInChI=1S/C22H16I2N2.8O.2Re/c1-25-12-10-19(21(23)15-25)8-6-17-4-3-5-18(14-17)7-9-20-11-13-26(2)16-22(20)24;;;;;;;;;;/h3-5,10-16H,1-2H3;;;;;;;;;;/q+2;8*-2;;
InChIKeyHBWRPFVKUSADBO-UHFFFAOYSA-N
XLogP2.39
TPSA235.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001062.60
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium 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

Benzylviologen
CID 14196
4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-ynyl]-pyridine
CID 10684789
1,1'-Diheptyl-4,4'-bipyridinium
CID 80263
3-[5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-pent-1-ynyl]-pyridine
CID 10614333
3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-ynyl]-pyridine
CID 10827222
1-[5-[3,5-Bis[5-(3-methylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]-3-methylpyridin-1-ium tribromide
CID 25142323
cis-[3-(4-Iodo-phenyl)-3-pyridin-3-yl-allyl]-dimethyl-amine;C2H4O4
CID 20478942
1,10-Diazoniatricyclo[23.3.1.110,14]triaconta-1(28),10,12,14(30),25(29),26-hexaen-15,23-diyne diiodide
CID 25110792
1-[3-[4-[4-[3-(3,4-Dimethylpyridin-1-ium-1-yl)prop-1-ynyl]phenyl]phenyl]prop-2-ynyl]-3,4-dimethylpyridin-1-ium dibromide
CID 54580336
Pyridinium, 1,1'-(1-3-phenylenedimethylene)bis(4-formyl-, dibromide, dioxime
CID 135871383
1-Heptyl-4-(4-pyridyl)pyridinium bromide
CID 13158416
1-[[3-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-N,N-dimethylpyridin-1-ium-4-amine dibromide
CID 11071248

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium?
The IUPAC name of 3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium (CID 139185700) is 3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium.
What is the SMILES notation for 3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium?
The canonical SMILES for 3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium is C[n+]1ccc(C#Cc2cccc(C#Cc3cc[n+](C)cc3I)c2)c(I)c1.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Re].[Re].
What is the InChIKey of 3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium?
The InChIKey is HBWRPFVKUSADBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16I2N2.8O.2Re/c1-25-12-10-19(21(23)15-25)8-6-17-4-3-5-18(14-17)7-9-20-11-13-26(2)16-22(20)24;;;;;;;;;;/h3-5,10-16H,1-2H3;;;;;;;;;;/q+2;8*-2;;.
What are the key properties of 3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium?
3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium has a molecular weight of 1062.60 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-[2-[3-[2-(3-iodo-1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]ethynyl]-1-methylpyridin-1-ium;octakis(oxygen(2-));rhenium is sourced from PubChem (CID 139185700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).