2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum

C44H31N4O2Pt- — CID 169318038

About 2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum

2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum (PubChem CID 169318038) has the molecular formula C44H31N4O2Pt- and a molecular weight of 842.84 g/mol. Its IUPAC name is 2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum
• PubChem CID: 169318038
• Molecular Formula: C44H31N4O2Pt-
• Molecular Weight: 842.84 g/mol
• Exact Mass: 842.21
• IUPAC Name: 2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum
• SMILES: CC(C)c1ccn2c(-c3ccccc3)c(-c3[c-]c(-c4cc(-c5ccccc5)cc(-c5ccccc5O)n4)c4oc5ccccc5c4c3)nc2n1.[Pt]
• InChI: InChI=1S/C44H31N4O2.Pt/c1-27(2)36-21-22-48-42(29-15-7-4-8-16-29)41(47-44(48)46-36)31-23-34-32-17-10-12-20-40(32)50-43(34)35(24-31)38-26-30(28-13-5-3-6-14-28)25-37(45-38)33-18-9-11-19-39(33)49;/h3-23,25-27,49H,1-2H3;/q-1
• InChIKey: XCOJHYJCNNULFO-UHFFFAOYSA-N
• XLogP: 10.99
• TPSA: 76.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.84
LogP ≤ 5	10.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum (CID 169318038) is 2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum is CC(C)c1ccn2c(-c3ccccc3)c(-c3[c-]c(-c4cc(-c5ccccc5)cc(-c5ccccc5O)n4)c4oc5ccccc5c4c3)nc2n1.[Pt].

What is the InChIKey of 2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum?

The InChIKey is XCOJHYJCNNULFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N4O2.Pt/c1-27(2)36-21-22-48-42(29-15-7-4-8-16-29)41(47-44(48)46-36)31-23-34-32-17-10-12-20-40(32)50-43(34)35(24-31)38-26-30(28-13-5-3-6-14-28)25-37(45-38)33-18-9-11-19-39(33)49;/h3-23,25-27,49H,1-2H3;/q-1;.

What are the key properties of 2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum?

2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 842.84 g/mol, XLogP of 10.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-phenyl-6-[2-(3-phenyl-7-propan-2-ylimidazo[1,2-a]pyrimidin-2-yl)-3H-dibenzofuran-3-id-4-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 169318038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).