copper;1,10-phenanthroline;bis(triphenylphosphanium)

C48H40CuN2P2+2 — CID 59698455

IUPACcopper;1,10-phenanthroline;bis(triphenylphosphanium)
SMILES[Cu].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C18H15P.C12H8N2.Cu/c2*1-4-10-16(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;/h2*1-15H;1-8H;/p+2
InChIKeyFJYNBBQEJAOFRV-UHFFFAOYSA-P
MW770.36 g/mol
LogP9.13
Rot. Bonds6

About copper;1,10-phenanthroline;bis(triphenylphosphanium)

copper;1,10-phenanthroline;bis(triphenylphosphanium) (PubChem CID 59698455) has the molecular formula C48H40CuN2P2+2 and a molecular weight of 770.36 g/mol. Its IUPAC name is copper;1,10-phenanthroline;bis(triphenylphosphanium).

Molecular Properties

Compound Namecopper;1,10-phenanthroline;bis(triphenylphosphanium)
PubChem CID59698455
Molecular FormulaC48H40CuN2P2+2
Molecular Weight770.36 g/mol
Exact Mass769.20
IUPAC Namecopper;1,10-phenanthroline;bis(triphenylphosphanium)
SMILES[Cu].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C18H15P.C12H8N2.Cu/c2*1-4-10-16(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;/h2*1-15H;1-8H;/p+2
InChIKeyFJYNBBQEJAOFRV-UHFFFAOYSA-P
XLogP9.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.36
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 copper;1,10-phenanthroline;bis(triphenylphosphanium)?
The IUPAC name of copper;1,10-phenanthroline;bis(triphenylphosphanium) (CID 59698455) is copper;1,10-phenanthroline;bis(triphenylphosphanium).
What is the SMILES notation for copper;1,10-phenanthroline;bis(triphenylphosphanium)?
The canonical SMILES for copper;1,10-phenanthroline;bis(triphenylphosphanium) is [Cu].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper;1,10-phenanthroline;bis(triphenylphosphanium)?
The InChIKey is FJYNBBQEJAOFRV-UHFFFAOYSA-P. The full InChI is InChI=1S/2C18H15P.C12H8N2.Cu/c2*1-4-10-16(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;/h2*1-15H;1-8H;/p+2.
What are the key properties of copper;1,10-phenanthroline;bis(triphenylphosphanium)?
copper;1,10-phenanthroline;bis(triphenylphosphanium) has a molecular weight of 770.36 g/mol, XLogP of 9.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1,10-phenanthroline;bis(triphenylphosphanium) is sourced from PubChem (CID 59698455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).