azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate

C30H26NO3PRe — CID 24892927

IUPACazanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate
SMILESN#[O+].O=C([O-])c1ccccc1.[Re].c1cc[cH-]c1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C7H6O2.C5H5.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1;1-2;/h1-15H;1-5H,(H,8,9);1-5H;;/q;;-1;+1;
InChIKeyDRXWFWBTSIOMCZ-UHFFFAOYSA-N
MW665.72 g/mol
LogP4.53
Rot. Bonds4

About azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate

azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate (PubChem CID 24892927) has the molecular formula C30H26NO3PRe and a molecular weight of 665.72 g/mol. Its IUPAC name is azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate.

Molecular Properties

Compound Nameazanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate
PubChem CID24892927
Molecular FormulaC30H26NO3PRe
Molecular Weight665.72 g/mol
Exact Mass666.12
IUPAC Nameazanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate
SMILESN#[O+].O=C([O-])c1ccccc1.[Re].c1cc[cH-]c1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C7H6O2.C5H5.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1;1-2;/h1-15H;1-5H,(H,8,9);1-5H;;/q;;-1;+1;
InChIKeyDRXWFWBTSIOMCZ-UHFFFAOYSA-N
XLogP4.53
TPSA83.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500665.72
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

cerium(3+) tribenzoate
CID 6452877
benzoate tetrahydrate
CID 18510013
cobalt(3+) tribenzoate
CID 20537733
aluminum dibenzoate
CID 18679092
copper tribenzoate
CID 158096746
ruthenium(4+) tetrabenzoate
CID 173321421
calcium dibenzoate
CID 90470399
platinum(4+) tetrabenzoate
CID 173022810
cadmium(2+) benzoate
CID 22051861
azanium benzoate
CID 15830
triazanium;tribenzoate
CID 161450646
barium(2+) benzoate
CID 22608800

Frequently Asked Questions

What is the IUPAC name of azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate?
The IUPAC name of azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate (CID 24892927) is azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate.
What is the SMILES notation for azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate?
The canonical SMILES for azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate is N#[O+].O=C([O-])c1ccccc1.[Re].c1cc[cH-]c1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate?
The InChIKey is DRXWFWBTSIOMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C7H6O2.C5H5.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1;1-2;/h1-15H;1-5H,(H,8,9);1-5H;;/q;;-1;+1;.
What are the key properties of azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate?
azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate has a molecular weight of 665.72 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate is sourced from PubChem (CID 24892927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).