7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+)

C37H26N8Pt — CID 171730424

About 7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+)

7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+) (PubChem CID 171730424) has the molecular formula C37H26N8Pt and a molecular weight of 777.75 g/mol. Its IUPAC name is 7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+).

Molecular Properties

• Compound Name: 7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+)
• PubChem CID: 171730424
• Molecular Formula: C37H26N8Pt
• Molecular Weight: 777.75 g/mol
• Exact Mass: 777.19
• IUPAC Name: 7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+)
• SMILES: CN1[CH-]N(c2[c-]c(C3(c4[c-]c(N5[CH-]N(C)c6cncnc65)ccc4)c4ccccc4-c4ccccc43)ccc2)c2ncncc21.[Pt+4]
• InChI: InChI=1S/C37H26N8.Pt/c1-42-23-44(35-33(42)19-38-21-40-35)27-11-7-9-25(17-27)37(31-15-5-3-13-29(31)30-14-4-6-16-32(30)37)26-10-8-12-28(18-26)45-24-43(2)34-20-39-22-41-36(34)45;/h3-16,19-24H,1-2H3;/q-4;+4
• InChIKey: QYWUNCNKZRWCRP-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 64.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.75
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+)?

The IUPAC name of 7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+) (CID 171730424) is 7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+).

What is the SMILES notation for 7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+)?

The canonical SMILES for 7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+) is CN1[CH-]N(c2[c-]c(C3(c4[c-]c(N5[CH-]N(C)c6cncnc65)ccc4)c4ccccc4-c4ccccc43)ccc2)c2ncncc21.[Pt+4].

What is the InChIKey of 7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+)?

The InChIKey is QYWUNCNKZRWCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N8.Pt/c1-42-23-44(35-33(42)19-38-21-40-35)27-11-7-9-25(17-27)37(31-15-5-3-13-29(31)30-14-4-6-16-32(30)37)26-10-8-12-28(18-26)45-24-43(2)34-20-39-22-41-36(34)45;/h3-16,19-24H,1-2H3;/q-4;+4.

What are the key properties of 7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+)?

7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+) has a molecular weight of 777.75 g/mol, XLogP of 6.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+) is sourced from PubChem (CID 171730424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).