2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum

C39H30N5OPt- — CID 153280209

About 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum

2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum (PubChem CID 153280209) has the molecular formula C39H30N5OPt- and a molecular weight of 779.78 g/mol. Its IUPAC name is 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum
• PubChem CID: 153280209
• Molecular Formula: C39H30N5OPt-
• Molecular Weight: 779.78 g/mol
• Exact Mass: 779.21
• IUPAC Name: 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum
• SMILES: Cc1cc(C)c(-c2nc(-c3[c-]c(N(c4ccccn4)c4cccc5ccccc45)ccc3)nc(-c3ccccc3O)n2)c(C)c1.[Pt]
• InChI: InChI=1S/C39H30N5O.Pt/c1-25-22-26(2)36(27(3)23-25)39-42-37(41-38(43-39)32-17-6-7-19-34(32)45)29-14-10-15-30(24-29)44(35-20-8-9-21-40-35)33-18-11-13-28-12-4-5-16-31(28)33;/h4-23,45H,1-3H3;/q-1
• InChIKey: QFXWVTHCDIXYGC-UHFFFAOYSA-N
• XLogP: 9.32
• TPSA: 75.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.78
LogP ≤ 5	9.32
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-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum (CID 153280209) is 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum.

What is the SMILES notation for 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum?

The canonical SMILES for 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum is Cc1cc(C)c(-c2nc(-c3[c-]c(N(c4ccccn4)c4cccc5ccccc45)ccc3)nc(-c3ccccc3O)n2)c(C)c1.[Pt].

What is the InChIKey of 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum?

The InChIKey is QFXWVTHCDIXYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N5O.Pt/c1-25-22-26(2)36(27(3)23-25)39-42-37(41-38(43-39)32-17-6-7-19-34(32)45)29-14-10-15-30(24-29)44(35-20-8-9-21-40-35)33-18-11-13-28-12-4-5-16-31(28)33;/h4-23,45H,1-3H3;/q-1;.

What are the key properties of 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum?

2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum has a molecular weight of 779.78 g/mol, XLogP of 9.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum is sourced from PubChem (CID 153280209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).