platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine

C47H27F3N2OPt — CID 164939603

About platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine

platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 164939603) has the molecular formula C47H27F3N2OPt and a molecular weight of 887.82 g/mol. Its IUPAC name is platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine
• PubChem CID: 164939603
• Molecular Formula: C47H27F3N2OPt
• Molecular Weight: 887.82 g/mol
• Exact Mass: 887.17
• IUPAC Name: platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine
• SMILES: FC(F)(F)c1cnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)cc1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2.[Pt+2]
• InChI: InChI=1S/C47H27F3N2O.Pt/c48-47(49,50)44-29-52-46(32-12-10-14-34(26-32)53-33-13-9-11-31(25-33)45-21-7-8-24-51-45)28-42(44)30-22-23-41-39-19-4-3-17-37(39)35-15-1-2-16-36(35)38-18-5-6-20-40(38)43(41)27-30;/h1-24,27-29H;/q-2;+2/b37-35-,38-36-,41-39-,43-40-
• InChIKey: TZBQBYWKGCWFKH-HUNISIJZSA-N
• XLogP: 12.87
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.82
LogP ≤ 5	12.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine?

The IUPAC name of platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine (CID 164939603) is platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine.

What is the SMILES notation for platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine?

The canonical SMILES for platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)cc1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2.[Pt+2].

What is the InChIKey of platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine?

The InChIKey is TZBQBYWKGCWFKH-HUNISIJZSA-N. The full InChI is InChI=1S/C47H27F3N2O.Pt/c48-47(49,50)44-29-52-46(32-12-10-14-34(26-32)53-33-13-9-11-31(25-33)45-21-7-8-24-51-45)28-42(44)30-22-23-41-39-19-4-3-17-37(39)35-15-1-2-16-36(35)38-18-5-6-20-40(38)43(41)27-30;/h1-24,27-29H;/q-2;+2/b37-35-,38-36-,41-39-,43-40-;.

What are the key properties of platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine?

platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 887.82 g/mol, XLogP of 12.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 164939603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).