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

C44H33N2O2Pt- — CID 177110090

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

2-[4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum (PubChem CID 177110090) has the molecular formula C44H33N2O2Pt- and a molecular weight of 816.84 g/mol. Its IUPAC name is 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum
• PubChem CID: 177110090
• Molecular Formula: C44H33N2O2Pt-
• Molecular Weight: 816.84 g/mol
• Exact Mass: 816.22
• IUPAC Name: 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2[c-]c(-c3cc(-c4ccccc4)cc4oc(-c5ccccc5O)nc34)cc(-c3ccccc3)c2)c2ncccc2c1.[Pt]
• InChI: InChI=1S/C44H33N2O2.Pt/c1-44(2,3)35-24-30-17-12-20-45-41(30)38(27-35)34-22-31(28-13-6-4-7-14-28)21-33(23-34)37-25-32(29-15-8-5-9-16-29)26-40-42(37)46-43(48-40)36-18-10-11-19-39(36)47;/h4-22,24-27,47H,1-3H3;/q-1
• InChIKey: TVYUUONQTOXYJV-UHFFFAOYSA-N
• XLogP: 11.51
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.84
LogP ≤ 5	11.51
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-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum (CID 177110090) is 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2[c-]c(-c3cc(-c4ccccc4)cc4oc(-c5ccccc5O)nc34)cc(-c3ccccc3)c2)c2ncccc2c1.[Pt].

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

The InChIKey is TVYUUONQTOXYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N2O2.Pt/c1-44(2,3)35-24-30-17-12-20-45-41(30)38(27-35)34-22-31(28-13-6-4-7-14-28)21-33(23-34)37-25-32(29-15-8-5-9-16-29)26-40-42(37)46-43(48-40)36-18-10-11-19-39(36)47;/h4-22,24-27,47H,1-3H3;/q-1;.

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

2-[4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum has a molecular weight of 816.84 g/mol, XLogP of 11.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).