osmium(2+);4-(1,10-phenanthrolin-5-yl)benzoic acid;bis(3,4,7,8-tetramethyl-1,10-phenanthroline);dihexafluorophosphate

C51H44F12N6O2OsP2 — CID 165111701

About osmium(2+);4-(1,10-phenanthrolin-5-yl)benzoic acid;bis(3,4,7,8-tetramethyl-1,10-phenanthroline);dihexafluorophosphate

osmium(2+);4-(1,10-phenanthrolin-5-yl)benzoic acid;bis(3,4,7,8-tetramethyl-1,10-phenanthroline);dihexafluorophosphate (PubChem CID 165111701) has the molecular formula C51H44F12N6O2OsP2 and a molecular weight of 1253.11 g/mol. Its IUPAC name is osmium(2+);4-(1,10-phenanthrolin-5-yl)benzoic acid;bis(3,4,7,8-tetramethyl-1,10-phenanthroline);dihexafluorophosphate.

Molecular Properties

• Compound Name: osmium(2+);4-(1,10-phenanthrolin-5-yl)benzoic acid;bis(3,4,7,8-tetramethyl-1,10-phenanthroline);dihexafluorophosphate
• PubChem CID: 165111701
• Molecular Formula: C51H44F12N6O2OsP2
• Molecular Weight: 1253.11 g/mol
• Exact Mass: 1254.24
• IUPAC Name: osmium(2+);4-(1,10-phenanthrolin-5-yl)benzoic acid;bis(3,4,7,8-tetramethyl-1,10-phenanthroline);dihexafluorophosphate
• SMILES: Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(O)c1ccc(-c2cc3cccnc3c3ncccc23)cc1.[Os+2]
• InChI: InChI=1S/C19H12N2O2.2C16H16N2.2F6P.Os/c22-19(23)13-7-5-12(6-8-13)16-11-14-3-1-9-20-17(14)18-15(16)4-2-10-21-18;2*1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15;2*1-7(2,3,4,5)6;/h1-11H,(H,22,23);2*5-8H,1-4H3;;;/q;;;2*-1;+2
• InChIKey: DHKNBNVYHHZKMQ-UHFFFAOYSA-N
• XLogP: 18.94
• TPSA: 114.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1253.11
LogP ≤ 5	18.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of osmium(2+);4-(1,10-phenanthrolin-5-yl)benzoic acid;bis(3,4,7,8-tetramethyl-1,10-phenanthroline);dihexafluorophosphate?

The IUPAC name of osmium(2+);4-(1,10-phenanthrolin-5-yl)benzoic acid;bis(3,4,7,8-tetramethyl-1,10-phenanthroline);dihexafluorophosphate (CID 165111701) is osmium(2+);4-(1,10-phenanthrolin-5-yl)benzoic acid;bis(3,4,7,8-tetramethyl-1,10-phenanthroline);dihexafluorophosphate.

What is the SMILES notation for osmium(2+);4-(1,10-phenanthrolin-5-yl)benzoic acid;bis(3,4,7,8-tetramethyl-1,10-phenanthroline);dihexafluorophosphate?

The canonical SMILES for osmium(2+);4-(1,10-phenanthrolin-5-yl)benzoic acid;bis(3,4,7,8-tetramethyl-1,10-phenanthroline);dihexafluorophosphate is Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(O)c1ccc(-c2cc3cccnc3c3ncccc23)cc1.[Os+2].

What is the InChIKey of osmium(2+);4-(1,10-phenanthrolin-5-yl)benzoic acid;bis(3,4,7,8-tetramethyl-1,10-phenanthroline);dihexafluorophosphate?

The InChIKey is DHKNBNVYHHZKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2.2C16H16N2.2F6P.Os/c22-19(23)13-7-5-12(6-8-13)16-11-14-3-1-9-20-17(14)18-15(16)4-2-10-21-18;2*1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15;2*1-7(2,3,4,5)6;/h1-11H,(H,22,23);2*5-8H,1-4H3;;;/q;;;2*-1;+2.

What are the key properties of osmium(2+);4-(1,10-phenanthrolin-5-yl)benzoic acid;bis(3,4,7,8-tetramethyl-1,10-phenanthroline);dihexafluorophosphate?

osmium(2+);4-(1,10-phenanthrolin-5-yl)benzoic acid;bis(3,4,7,8-tetramethyl-1,10-phenanthroline);dihexafluorophosphate has a molecular weight of 1253.11 g/mol, XLogP of 18.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for osmium(2+);4-(1,10-phenanthrolin-5-yl)benzoic acid;bis(3,4,7,8-tetramethyl-1,10-phenanthroline);dihexafluorophosphate is sourced from PubChem (CID 165111701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).