azanylidyneoxidanium;cyclopenta-1,3-diene;prop-1-ene;rhenium;triphenylphosphanium

C26H22NOPRe-4 — CID 6334388

IUPACazanylidyneoxidanium;cyclopenta-1,3-diene;prop-1-ene;rhenium;triphenylphosphanium
SMILESN#[O+].[H]/[C-]=C\C.[Re].[c-]1[c-][c-][cH-][c-]1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H.C3H5.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;1-3-2;1-2;/h1-15H;1H;1,3H,2H3;;/q;-5;-1;+1;/p+1
InChIKeyZFHWMHLIWJLDDA-UHFFFAOYSA-O
MW581.65 g/mol
LogP4.67
Rot. Bonds3

About azanylidyneoxidanium;cyclopenta-1,3-diene;prop-1-ene;rhenium;triphenylphosphanium

azanylidyneoxidanium;cyclopenta-1,3-diene;prop-1-ene;rhenium;triphenylphosphanium (PubChem CID 6334388) has the molecular formula C26H22NOPRe-4 and a molecular weight of 581.65 g/mol. Its IUPAC name is azanylidyneoxidanium;cyclopenta-1,3-diene;prop-1-ene;rhenium;triphenylphosphanium.

Molecular Properties

Compound Nameazanylidyneoxidanium;cyclopenta-1,3-diene;prop-1-ene;rhenium;triphenylphosphanium
PubChem CID6334388
Molecular FormulaC26H22NOPRe-4
Molecular Weight581.65 g/mol
Exact Mass582.10
IUPAC Nameazanylidyneoxidanium;cyclopenta-1,3-diene;prop-1-ene;rhenium;triphenylphosphanium
SMILESN#[O+].[H]/[C-]=C\C.[Re].[c-]1[c-][c-][cH-][c-]1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H.C3H5.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;1-3-2;1-2;/h1-15H;1H;1,3H,2H3;;/q;-5;-1;+1;/p+1
InChIKeyZFHWMHLIWJLDDA-UHFFFAOYSA-O
XLogP4.67
TPSA43.69 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.65
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanylidyneoxidanium;cyclopenta-1,3-diene;prop-1-ene;rhenium;triphenylphosphanium?
The IUPAC name of azanylidyneoxidanium;cyclopenta-1,3-diene;prop-1-ene;rhenium;triphenylphosphanium (CID 6334388) is azanylidyneoxidanium;cyclopenta-1,3-diene;prop-1-ene;rhenium;triphenylphosphanium.
What is the SMILES notation for azanylidyneoxidanium;cyclopenta-1,3-diene;prop-1-ene;rhenium;triphenylphosphanium?
The canonical SMILES for azanylidyneoxidanium;cyclopenta-1,3-diene;prop-1-ene;rhenium;triphenylphosphanium is N#[O+].[H]/[C-]=C\C.[Re].[c-]1[c-][c-][cH-][c-]1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of azanylidyneoxidanium;cyclopenta-1,3-diene;prop-1-ene;rhenium;triphenylphosphanium?
The InChIKey is ZFHWMHLIWJLDDA-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15P.C5H.C3H5.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;1-3-2;1-2;/h1-15H;1H;1,3H,2H3;;/q;-5;-1;+1;/p+1.
What are the key properties of azanylidyneoxidanium;cyclopenta-1,3-diene;prop-1-ene;rhenium;triphenylphosphanium?
azanylidyneoxidanium;cyclopenta-1,3-diene;prop-1-ene;rhenium;triphenylphosphanium has a molecular weight of 581.65 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyneoxidanium;cyclopenta-1,3-diene;prop-1-ene;rhenium;triphenylphosphanium is sourced from PubChem (CID 6334388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).