cyclopentane;iodorhenium;nitroxyl anion;triphenylphosphane

C23H25INOPRe- — CID 23229398

IUPACcyclopentane;iodorhenium;nitroxyl anion;triphenylphosphane
SMILESC1CCCC1.I[Re].[N-]=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H10.HI.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;1-2;/h1-15H;1-5H2;1H;;/q;;;-1;+1/p-1
InChIKeyCQNGUNBLDVGUMN-UHFFFAOYSA-M
MW675.54 g/mol
LogP6.60
Rot. Bonds3

About cyclopentane;iodorhenium;nitroxyl anion;triphenylphosphane

cyclopentane;iodorhenium;nitroxyl anion;triphenylphosphane (PubChem CID 23229398) has the molecular formula C23H25INOPRe- and a molecular weight of 675.54 g/mol. Its IUPAC name is cyclopentane;iodorhenium;nitroxyl anion;triphenylphosphane.

Molecular Properties

Compound Namecyclopentane;iodorhenium;nitroxyl anion;triphenylphosphane
PubChem CID23229398
Molecular FormulaC23H25INOPRe-
Molecular Weight675.54 g/mol
Exact Mass676.03
IUPAC Namecyclopentane;iodorhenium;nitroxyl anion;triphenylphosphane
SMILESC1CCCC1.I[Re].[N-]=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H10.HI.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;1-2;/h1-15H;1-5H2;1H;;/q;;;-1;+1/p-1
InChIKeyCQNGUNBLDVGUMN-UHFFFAOYSA-M
XLogP6.60
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.54
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 10963428
CID 10963428
nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane)
CID 173393317
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CID 23229150
triphenylphosphane
CID 139056248
iodocopper;triphenylphosphane
CID 12549340
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CID 175429598
chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane)
CID 21271333
silane;triphenylphosphane
CID 161037280
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
CID 87948921
CID 87948921

Frequently Asked Questions

What is the IUPAC name of cyclopentane;iodorhenium;nitroxyl anion;triphenylphosphane?
The IUPAC name of cyclopentane;iodorhenium;nitroxyl anion;triphenylphosphane (CID 23229398) is cyclopentane;iodorhenium;nitroxyl anion;triphenylphosphane.
What is the SMILES notation for cyclopentane;iodorhenium;nitroxyl anion;triphenylphosphane?
The canonical SMILES for cyclopentane;iodorhenium;nitroxyl anion;triphenylphosphane is C1CCCC1.I[Re].[N-]=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of cyclopentane;iodorhenium;nitroxyl anion;triphenylphosphane?
The InChIKey is CQNGUNBLDVGUMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15P.C5H10.HI.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;1-2;/h1-15H;1-5H2;1H;;/q;;;-1;+1/p-1.
What are the key properties of cyclopentane;iodorhenium;nitroxyl anion;triphenylphosphane?
cyclopentane;iodorhenium;nitroxyl anion;triphenylphosphane has a molecular weight of 675.54 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;iodorhenium;nitroxyl anion;triphenylphosphane is sourced from PubChem (CID 23229398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).