2-[4-[3-(5-methyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum

C35H23N2O2Pt- — CID 177111029

About 2-[4-[3-(5-methyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum

2-[4-[3-(5-methyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum (PubChem CID 177111029) has the molecular formula C35H23N2O2Pt- and a molecular weight of 698.66 g/mol. Its IUPAC name is 2-[4-[3-(5-methyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-(5-methyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
• PubChem CID: 177111029
• Molecular Formula: C35H23N2O2Pt-
• Molecular Weight: 698.66 g/mol
• Exact Mass: 698.14
• IUPAC Name: 2-[4-[3-(5-methyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
• SMILES: Cc1ccc(-c2[c-]c(-c3cccc4oc(-c5ccccc5O)nc34)ccc2)c2nccc(-c3ccccc3)c12.[Pt]
• InChI: InChI=1S/C35H23N2O2.Pt/c1-22-17-18-28(34-32(22)26(19-20-36-34)23-9-3-2-4-10-23)25-12-7-11-24(21-25)27-14-8-16-31-33(27)37-35(39-31)29-13-5-6-15-30(29)38;/h2-20,38H,1H3;/q-1
• InChIKey: VAOXQYOUWJYQGU-UHFFFAOYSA-N
• XLogP: 8.86
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.66
LogP ≤ 5	8.86
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-(5-methyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-(5-methyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum (CID 177111029) is 2-[4-[3-(5-methyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[4-[3-(5-methyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[4-[3-(5-methyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum is Cc1ccc(-c2[c-]c(-c3cccc4oc(-c5ccccc5O)nc34)ccc2)c2nccc(-c3ccccc3)c12.[Pt].

What is the InChIKey of 2-[4-[3-(5-methyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The InChIKey is VAOXQYOUWJYQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N2O2.Pt/c1-22-17-18-28(34-32(22)26(19-20-36-34)23-9-3-2-4-10-23)25-12-7-11-24(21-25)27-14-8-16-31-33(27)37-35(39-31)29-13-5-6-15-30(29)38;/h2-20,38H,1H3;/q-1;.

What are the key properties of 2-[4-[3-(5-methyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

2-[4-[3-(5-methyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum has a molecular weight of 698.66 g/mol, XLogP of 8.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(5-methyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum is sourced from PubChem (CID 177111029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).