2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum

C36H31N2O2Pt- — CID 164742819

About 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum

2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum (PubChem CID 164742819) has the molecular formula C36H31N2O2Pt- and a molecular weight of 718.73 g/mol. Its IUPAC name is 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum
• PubChem CID: 164742819
• Molecular Formula: C36H31N2O2Pt-
• Molecular Weight: 718.73 g/mol
• Exact Mass: 718.20
• IUPAC Name: 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum
• SMILES: CC(c1ccccc1)c1cccc(O)c1-c1nc2c(-c3[c-]c(-c4ccccn4)cc(C(C)(C)C)c3)cccc2o1.[Pt]
• InChI: InChI=1S/C36H31N2O2.Pt/c1-23(24-12-6-5-7-13-24)28-14-10-17-31(39)33(28)35-38-34-29(15-11-18-32(34)40-35)25-20-26(30-16-8-9-19-37-30)22-27(21-25)36(2,3)4;/h5-19,21-23,39H,1-4H3;/q-1
• InChIKey: COSZASTZEZWJRL-UHFFFAOYSA-N
• XLogP: 9.18
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.73
LogP ≤ 5	9.18
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-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum?

The IUPAC name of 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum (CID 164742819) is 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum.

What is the SMILES notation for 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum?

The canonical SMILES for 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum is CC(c1ccccc1)c1cccc(O)c1-c1nc2c(-c3[c-]c(-c4ccccn4)cc(C(C)(C)C)c3)cccc2o1.[Pt].

What is the InChIKey of 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum?

The InChIKey is COSZASTZEZWJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N2O2.Pt/c1-23(24-12-6-5-7-13-24)28-14-10-17-31(39)33(28)35-38-34-29(15-11-18-32(34)40-35)25-20-26(30-16-8-9-19-37-30)22-27(21-25)36(2,3)4;/h5-19,21-23,39H,1-4H3;/q-1;.

What are the key properties of 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum?

2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum has a molecular weight of 718.73 g/mol, XLogP of 9.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum is sourced from PubChem (CID 164742819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).