2-[4-[3-([1]benzofuro[3,2-f]quinolin-5-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum

C34H19N2O3Pt- — CID 177110784

About 2-[4-[3-([1]benzofuro[3,2-f]quinolin-5-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum

2-[4-[3-([1]benzofuro[3,2-f]quinolin-5-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum (PubChem CID 177110784) has the molecular formula C34H19N2O3Pt- and a molecular weight of 698.62 g/mol. Its IUPAC name is 2-[4-[3-([1]benzofuro[3,2-f]quinolin-5-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-([1]benzofuro[3,2-f]quinolin-5-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
• PubChem CID: 177110784
• Molecular Formula: C34H19N2O3Pt-
• Molecular Weight: 698.62 g/mol
• Exact Mass: 698.10
• IUPAC Name: 2-[4-[3-([1]benzofuro[3,2-f]quinolin-5-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
• SMILES: Oc1ccccc1-c1nc2c(-c3[c-]c(-c4cc5oc6ccccc6c5c5cccnc45)ccc3)cccc2o1.[Pt]
• InChI: InChI=1S/C34H19N2O3.Pt/c37-27-14-3-1-10-23(27)34-36-33-22(12-6-16-29(33)39-34)20-8-5-9-21(18-20)26-19-30-31(25-13-7-17-35-32(25)26)24-11-2-4-15-28(24)38-30;/h1-17,19,37H;/q-1
• InChIKey: FYFWTDJCAQFTJM-UHFFFAOYSA-N
• XLogP: 8.78
• TPSA: 72.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.62
LogP ≤ 5	8.78
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-([1]benzofuro[3,2-f]quinolin-5-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-([1]benzofuro[3,2-f]quinolin-5-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum (CID 177110784) is 2-[4-[3-([1]benzofuro[3,2-f]quinolin-5-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-[3-([1]benzofuro[3,2-f]quinolin-5-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum is Oc1ccccc1-c1nc2c(-c3[c-]c(-c4cc5oc6ccccc6c5c5cccnc45)ccc3)cccc2o1.[Pt].

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

The InChIKey is FYFWTDJCAQFTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N2O3.Pt/c37-27-14-3-1-10-23(27)34-36-33-22(12-6-16-29(33)39-34)20-8-5-9-21(18-20)26-19-30-31(25-13-7-17-35-32(25)26)24-11-2-4-15-28(24)38-30;/h1-17,19,37H;/q-1;.

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

2-[4-[3-([1]benzofuro[3,2-f]quinolin-5-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum has a molecular weight of 698.62 g/mol, XLogP of 8.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-([1]benzofuro[3,2-f]quinolin-5-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).