3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum

C31H21N2O2Pt- — CID 164742887

About 3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum

3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum (PubChem CID 164742887) has the molecular formula C31H21N2O2Pt- and a molecular weight of 648.60 g/mol. Its IUPAC name is 3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum
• PubChem CID: 164742887
• Molecular Formula: C31H21N2O2Pt-
• Molecular Weight: 648.60 g/mol
• Exact Mass: 648.13
• IUPAC Name: 3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum
• SMILES: Oc1cccc(Cc2ccccc2)c1-c1nc2c(-c3[c-]c(-c4ccccn4)ccc3)cccc2o1.[Pt]
• InChI: InChI=1S/C31H21N2O2.Pt/c34-27-16-7-13-24(19-21-9-2-1-3-10-21)29(27)31-33-30-25(14-8-17-28(30)35-31)22-11-6-12-23(20-22)26-15-4-5-18-32-26;/h1-18,34H,19H2;/q-1
• InChIKey: YMEFGXQQFZLBMM-UHFFFAOYSA-N
• XLogP: 7.32
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.60
LogP ≤ 5	7.32
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 3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum?

The IUPAC name of 3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum (CID 164742887) is 3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum.

What is the SMILES notation for 3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum?

The canonical SMILES for 3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum is Oc1cccc(Cc2ccccc2)c1-c1nc2c(-c3[c-]c(-c4ccccn4)ccc3)cccc2o1.[Pt].

What is the InChIKey of 3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum?

The InChIKey is YMEFGXQQFZLBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N2O2.Pt/c34-27-16-7-13-24(19-21-9-2-1-3-10-21)29(27)31-33-30-25(14-8-17-28(30)35-31)22-11-6-12-23(20-22)26-15-4-5-18-32-26;/h1-18,34H,19H2;/q-1;.

What are the key properties of 3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum?

3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum has a molecular weight of 648.60 g/mol, XLogP of 7.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum is sourced from PubChem (CID 164742887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).