2-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum

C32H23N2O2Pt- — CID 164742269

About 2-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum

2-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum (PubChem CID 164742269) has the molecular formula C32H23N2O2Pt- and a molecular weight of 662.63 g/mol. Its IUPAC name is 2-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
• PubChem CID: 164742269
• Molecular Formula: C32H23N2O2Pt-
• Molecular Weight: 662.63 g/mol
• Exact Mass: 662.14
• IUPAC Name: 2-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
• SMILES: CC(c1ccccc1)c1ccnc(-c2[c-]c(-c3cccc4oc(-c5ccccc5O)nc34)ccc2)c1.[Pt]
• InChI: InChI=1S/C32H23N2O2.Pt/c1-21(22-9-3-2-4-10-22)23-17-18-33-28(20-23)25-12-7-11-24(19-25)26-14-8-16-30-31(26)34-32(36-30)27-13-5-6-15-29(27)35;/h2-18,20-21,35H,1H3;/q-1
• InChIKey: DKHWQUCAWJNJJJ-UHFFFAOYSA-N
• XLogP: 7.88
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.63
LogP ≤ 5	7.88
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 2-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum (CID 164742269) is 2-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum is CC(c1ccccc1)c1ccnc(-c2[c-]c(-c3cccc4oc(-c5ccccc5O)nc34)ccc2)c1.[Pt].

What is the InChIKey of 2-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The InChIKey is DKHWQUCAWJNJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N2O2.Pt/c1-21(22-9-3-2-4-10-22)23-17-18-33-28(20-23)25-12-7-11-24(19-25)26-14-8-16-30-31(26)34-32(36-30)27-13-5-6-15-29(27)35;/h2-18,20-21,35H,1H3;/q-1;.

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

2-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum has a molecular weight of 662.63 g/mol, XLogP of 7.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum is sourced from PubChem (CID 164742269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).