N-[3-(1,2-benzoxazol-3-yl)benzene-2-id-1-yl]-N-phenyl-6-(2H-pyrrol-2-id-1-yl)pyridin-2-amine;platinum(2+)

C28H18N4OPt — CID 58704399

About N-[3-(1,2-benzoxazol-3-yl)benzene-2-id-1-yl]-N-phenyl-6-(2H-pyrrol-2-id-1-yl)pyridin-2-amine;platinum(2+)

N-[3-(1,2-benzoxazol-3-yl)benzene-2-id-1-yl]-N-phenyl-6-(2H-pyrrol-2-id-1-yl)pyridin-2-amine;platinum(2+) (PubChem CID 58704399) has the molecular formula C28H18N4OPt and a molecular weight of 621.56 g/mol. Its IUPAC name is N-[3-(1,2-benzoxazol-3-yl)benzene-2-id-1-yl]-N-phenyl-6-(2H-pyrrol-2-id-1-yl)pyridin-2-amine;platinum(2+).

Molecular Properties

• Compound Name: N-[3-(1,2-benzoxazol-3-yl)benzene-2-id-1-yl]-N-phenyl-6-(2H-pyrrol-2-id-1-yl)pyridin-2-amine;platinum(2+)
• PubChem CID: 58704399
• Molecular Formula: C28H18N4OPt
• Molecular Weight: 621.56 g/mol
• Exact Mass: 621.11
• IUPAC Name: N-[3-(1,2-benzoxazol-3-yl)benzene-2-id-1-yl]-N-phenyl-6-(2H-pyrrol-2-id-1-yl)pyridin-2-amine;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-c2noc3ccccc23)cccc1N(c1ccccc1)c1cccc(-n2[c-]ccc2)n1
• InChI: InChI=1S/C28H18N4O.Pt/c1-2-11-22(12-3-1)32(27-17-9-16-26(29-27)31-18-6-7-19-31)23-13-8-10-21(20-23)28-24-14-4-5-15-25(24)33-30-28;/h1-18H;/q-2;+2
• InChIKey: RVRJWWUQVKTGTQ-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 47.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.56
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	0
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 N-[3-(1,2-benzoxazol-3-yl)benzene-2-id-1-yl]-N-phenyl-6-(2H-pyrrol-2-id-1-yl)pyridin-2-amine;platinum(2+)?

The IUPAC name of N-[3-(1,2-benzoxazol-3-yl)benzene-2-id-1-yl]-N-phenyl-6-(2H-pyrrol-2-id-1-yl)pyridin-2-amine;platinum(2+) (CID 58704399) is N-[3-(1,2-benzoxazol-3-yl)benzene-2-id-1-yl]-N-phenyl-6-(2H-pyrrol-2-id-1-yl)pyridin-2-amine;platinum(2+).

What is the SMILES notation for N-[3-(1,2-benzoxazol-3-yl)benzene-2-id-1-yl]-N-phenyl-6-(2H-pyrrol-2-id-1-yl)pyridin-2-amine;platinum(2+)?

The canonical SMILES for N-[3-(1,2-benzoxazol-3-yl)benzene-2-id-1-yl]-N-phenyl-6-(2H-pyrrol-2-id-1-yl)pyridin-2-amine;platinum(2+) is [Pt+2].[c-]1c(-c2noc3ccccc23)cccc1N(c1ccccc1)c1cccc(-n2[c-]ccc2)n1.

What is the InChIKey of N-[3-(1,2-benzoxazol-3-yl)benzene-2-id-1-yl]-N-phenyl-6-(2H-pyrrol-2-id-1-yl)pyridin-2-amine;platinum(2+)?

The InChIKey is RVRJWWUQVKTGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O.Pt/c1-2-11-22(12-3-1)32(27-17-9-16-26(29-27)31-18-6-7-19-31)23-13-8-10-21(20-23)28-24-14-4-5-15-25(24)33-30-28;/h1-18H;/q-2;+2.

What are the key properties of N-[3-(1,2-benzoxazol-3-yl)benzene-2-id-1-yl]-N-phenyl-6-(2H-pyrrol-2-id-1-yl)pyridin-2-amine;platinum(2+)?

N-[3-(1,2-benzoxazol-3-yl)benzene-2-id-1-yl]-N-phenyl-6-(2H-pyrrol-2-id-1-yl)pyridin-2-amine;platinum(2+) has a molecular weight of 621.56 g/mol, XLogP of 6.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,2-benzoxazol-3-yl)benzene-2-id-1-yl]-N-phenyl-6-(2H-pyrrol-2-id-1-yl)pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 58704399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).