carbon monoxide;chlororhenium;1,10-phenanthroline;triphenylphosphanium

C32H24ClN2O2PRe+ — CID 158659159

IUPACcarbon monoxide;chlororhenium;1,10-phenanthroline;triphenylphosphanium
SMILESCl[Re].[C-]#[O+].[C-]#[O+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C18H15P.C12H8N2.2CO.ClH.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2;;/h1-15H;1-8H;;;1H;/q;;;;;+1
InChIKeyRGEFQMZWMWIJSD-UHFFFAOYSA-N
MW721.19 g/mol
LogP6.57
Rot. Bonds3

About carbon monoxide;chlororhenium;1,10-phenanthroline;triphenylphosphanium

carbon monoxide;chlororhenium;1,10-phenanthroline;triphenylphosphanium (PubChem CID 158659159) has the molecular formula C32H24ClN2O2PRe+ and a molecular weight of 721.19 g/mol. Its IUPAC name is carbon monoxide;chlororhenium;1,10-phenanthroline;triphenylphosphanium.

Molecular Properties

Compound Namecarbon monoxide;chlororhenium;1,10-phenanthroline;triphenylphosphanium
PubChem CID158659159
Molecular FormulaC32H24ClN2O2PRe+
Molecular Weight721.19 g/mol
Exact Mass721.08
IUPAC Namecarbon monoxide;chlororhenium;1,10-phenanthroline;triphenylphosphanium
SMILESCl[Re].[C-]#[O+].[C-]#[O+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C18H15P.C12H8N2.2CO.ClH.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2;;/h1-15H;1-8H;;;1H;/q;;;;;+1
InChIKeyRGEFQMZWMWIJSD-UHFFFAOYSA-N
XLogP6.57
TPSA65.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.19
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chlororhenium;1,10-phenanthroline;triphenylphosphanium?
The IUPAC name of carbon monoxide;chlororhenium;1,10-phenanthroline;triphenylphosphanium (CID 158659159) is carbon monoxide;chlororhenium;1,10-phenanthroline;triphenylphosphanium.
What is the SMILES notation for carbon monoxide;chlororhenium;1,10-phenanthroline;triphenylphosphanium?
The canonical SMILES for carbon monoxide;chlororhenium;1,10-phenanthroline;triphenylphosphanium is Cl[Re].[C-]#[O+].[C-]#[O+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of carbon monoxide;chlororhenium;1,10-phenanthroline;triphenylphosphanium?
The InChIKey is RGEFQMZWMWIJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C12H8N2.2CO.ClH.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2;;/h1-15H;1-8H;;;1H;/q;;;;;+1.
What are the key properties of carbon monoxide;chlororhenium;1,10-phenanthroline;triphenylphosphanium?
carbon monoxide;chlororhenium;1,10-phenanthroline;triphenylphosphanium has a molecular weight of 721.19 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chlororhenium;1,10-phenanthroline;triphenylphosphanium is sourced from PubChem (CID 158659159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).