2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum

C39H25N4OPt- — CID 166511806

About 2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum

2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum (PubChem CID 166511806) has the molecular formula C39H25N4OPt- and a molecular weight of 760.73 g/mol. Its IUPAC name is 2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum
• PubChem CID: 166511806
• Molecular Formula: C39H25N4OPt-
• Molecular Weight: 760.73 g/mol
• Exact Mass: 760.17
• IUPAC Name: 2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum
• SMILES: Oc1ccccc1-c1cccc(C2(c3[c-]c(-c4ncnc(-c5ccccc5)n4)ccc3)c3ccccc3-c3ccccc32)n1.[Pt]
• InChI: InChI=1S/C39H25N4O.Pt/c44-35-22-9-6-18-31(35)34-21-11-23-36(42-34)39(32-19-7-4-16-29(32)30-17-5-8-20-33(30)39)28-15-10-14-27(24-28)38-41-25-40-37(43-38)26-12-2-1-3-13-26;/h1-23,25,44H;/q-1
• InChIKey: WCJYUDKUEAMGST-UHFFFAOYSA-N
• XLogP: 8.13
• TPSA: 71.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.73
LogP ≤ 5	8.13
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-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum (CID 166511806) is 2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum is Oc1ccccc1-c1cccc(C2(c3[c-]c(-c4ncnc(-c5ccccc5)n4)ccc3)c3ccccc3-c3ccccc32)n1.[Pt].

What is the InChIKey of 2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum?

The InChIKey is WCJYUDKUEAMGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N4O.Pt/c44-35-22-9-6-18-31(35)34-21-11-23-36(42-34)39(32-19-7-4-16-29(32)30-17-5-8-20-33(30)39)28-15-10-14-27(24-28)38-41-25-40-37(43-38)26-12-2-1-3-13-26;/h1-23,25,44H;/q-1;.

What are the key properties of 2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum?

2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 760.73 g/mol, XLogP of 8.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 166511806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).