2-[4-[3-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum

C37H28N3O2Pt- — CID 177110792

About 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum

2-[4-[3-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum (PubChem CID 177110792) has the molecular formula C37H28N3O2Pt- and a molecular weight of 741.73 g/mol. Its IUPAC name is 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
• PubChem CID: 177110792
• Molecular Formula: C37H28N3O2Pt-
• Molecular Weight: 741.73 g/mol
• Exact Mass: 741.18
• IUPAC Name: 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2[c-]c(-c3cccc4oc(-c5ccccc5O)nc34)cc(-c3ccccn3)c2)c2ncccc2c1.[Pt]
• InChI: InChI=1S/C37H28N3O2.Pt/c1-37(2,3)27-21-23-10-9-17-39-34(23)30(22-27)25-18-24(19-26(20-25)31-13-6-7-16-38-31)28-12-8-15-33-35(28)40-36(42-33)29-11-4-5-14-32(29)41;/h4-17,19-22,41H,1-3H3;/q-1
• InChIKey: BWXOZPKJQLQWOT-UHFFFAOYSA-N
• XLogP: 9.24
• TPSA: 72.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.73
LogP ≤ 5	9.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum (CID 177110792) is 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2[c-]c(-c3cccc4oc(-c5ccccc5O)nc34)cc(-c3ccccn3)c2)c2ncccc2c1.[Pt].

What is the InChIKey of 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The InChIKey is BWXOZPKJQLQWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N3O2.Pt/c1-37(2,3)27-21-23-10-9-17-39-34(23)30(22-27)25-18-24(19-26(20-25)31-13-6-7-16-38-31)28-12-8-15-33-35(28)40-36(42-33)29-11-4-5-14-32(29)41;/h4-17,19-22,41H,1-3H3;/q-1;.

What are the key properties of 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

2-[4-[3-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum has a molecular weight of 741.73 g/mol, XLogP of 9.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).