tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid

C72H60F6N6O18P6 — CID 173166760

IUPACtris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid
SMILESO=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/3C24H16N2.6FH2O3P/c3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;6*1-5(2,3)4/h3*1-16H;6*(H2,2,3,4)
InChIKeyJVQFSKHVYDRQPL-UHFFFAOYSA-N
MW1597.13 g/mol
LogP18.64
Rot. Bonds6

About tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid

tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid (PubChem CID 173166760) has the molecular formula C72H60F6N6O18P6 and a molecular weight of 1597.13 g/mol. Its IUPAC name is tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid.

Molecular Properties

Compound Nametris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid
PubChem CID173166760
Molecular FormulaC72H60F6N6O18P6
Molecular Weight1597.13 g/mol
Exact Mass1596.23
IUPAC Nametris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid
SMILESO=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/3C24H16N2.6FH2O3P/c3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;6*1-5(2,3)4/h3*1-16H;6*(H2,2,3,4)
InChIKeyJVQFSKHVYDRQPL-UHFFFAOYSA-N
XLogP18.64
TPSA422.52 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001597.13
LogP ≤ 518.64
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

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 tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid?
The IUPAC name of tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid (CID 173166760) is tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid.
What is the SMILES notation for tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid?
The canonical SMILES for tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid is O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid?
The InChIKey is JVQFSKHVYDRQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H16N2.6FH2O3P/c3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;6*1-5(2,3)4/h3*1-16H;6*(H2,2,3,4).
What are the key properties of tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid?
tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid has a molecular weight of 1597.13 g/mol, XLogP of 18.64, 6 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid is sourced from PubChem (CID 173166760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).