platinum;2-[4-[3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol

C29H16F3N2O2Pt- — CID 177110673

About platinum;2-[4-[3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol

platinum;2-[4-[3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol (PubChem CID 177110673) has the molecular formula C29H16F3N2O2Pt- and a molecular weight of 676.53 g/mol. Its IUPAC name is platinum;2-[4-[3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol.

Molecular Properties

• Compound Name: platinum;2-[4-[3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol
• PubChem CID: 177110673
• Molecular Formula: C29H16F3N2O2Pt-
• Molecular Weight: 676.53 g/mol
• Exact Mass: 676.08
• IUPAC Name: platinum;2-[4-[3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol
• SMILES: Oc1ccccc1-c1nc2c(-c3[c-]c(-c4cc(C(F)(F)F)cc5cccnc45)ccc3)cccc2o1.[Pt]
• InChI: InChI=1S/C29H16F3N2O2.Pt/c30-29(31,32)20-15-19-8-5-13-33-26(19)23(16-20)18-7-3-6-17(14-18)21-10-4-12-25-27(21)34-28(36-25)22-9-1-2-11-24(22)35;/h1-13,15-16,35H;/q-1
• InChIKey: KVHNRAHFPBYIEU-UHFFFAOYSA-N
• XLogP: 7.90
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.53
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum;2-[4-[3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol?

The IUPAC name of platinum;2-[4-[3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol (CID 177110673) is platinum;2-[4-[3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol.

What is the SMILES notation for platinum;2-[4-[3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol?

The canonical SMILES for platinum;2-[4-[3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol is Oc1ccccc1-c1nc2c(-c3[c-]c(-c4cc(C(F)(F)F)cc5cccnc45)ccc3)cccc2o1.[Pt].

What is the InChIKey of platinum;2-[4-[3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol?

The InChIKey is KVHNRAHFPBYIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16F3N2O2.Pt/c30-29(31,32)20-15-19-8-5-13-33-26(19)23(16-20)18-7-3-6-17(14-18)21-10-4-12-25-27(21)34-28(36-25)22-9-1-2-11-24(22)35;/h1-13,15-16,35H;/q-1;.

What are the key properties of platinum;2-[4-[3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol?

platinum;2-[4-[3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol has a molecular weight of 676.53 g/mol, XLogP of 7.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;2-[4-[3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol is sourced from PubChem (CID 177110673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).