2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

C44H30N3OPt- — CID 153304079

About 2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (PubChem CID 153304079) has the molecular formula C44H30N3OPt- and a molecular weight of 811.82 g/mol. Its IUPAC name is 2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• PubChem CID: 153304079
• Molecular Formula: C44H30N3OPt-
• Molecular Weight: 811.82 g/mol
• Exact Mass: 811.20
• IUPAC Name: 2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• SMILES: Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2[c-]c(N(c3cc(-c4ccccc4)ccn3)c3cccc4ccccc34)ccc2)n1.[Pt]
• InChI: InChI=1S/C44H30N3O.Pt/c48-43-24-10-9-22-39(43)41-29-36(32-15-5-2-6-16-32)28-40(46-41)35-19-11-20-37(27-35)47(42-23-12-18-33-17-7-8-21-38(33)42)44-30-34(25-26-45-44)31-13-3-1-4-14-31;/h1-26,28-30,48H;/q-1
• InChIKey: PGKGFOJGOLKWHB-UHFFFAOYSA-N
• XLogP: 11.27
• TPSA: 49.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.82
LogP ≤ 5	11.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (CID 153304079) is 2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2[c-]c(N(c3cc(-c4ccccc4)ccn3)c3cccc4ccccc34)ccc2)n1.[Pt].

What is the InChIKey of 2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The InChIKey is PGKGFOJGOLKWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N3O.Pt/c48-43-24-10-9-22-39(43)41-29-36(32-15-5-2-6-16-32)28-40(46-41)35-19-11-20-37(27-35)47(42-23-12-18-33-17-7-8-21-38(33)42)44-30-34(25-26-45-44)31-13-3-1-4-14-31;/h1-26,28-30,48H;/q-1;.

What are the key properties of 2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum has a molecular weight of 811.82 g/mol, XLogP of 11.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 153304079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).