2-[6-[3-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

C35H26N3OPt- — CID 164742678

About 2-[6-[3-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

2-[6-[3-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 164742678) has the molecular formula C35H26N3OPt- and a molecular weight of 699.69 g/mol. Its IUPAC name is 2-[6-[3-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-[3-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• PubChem CID: 164742678
• Molecular Formula: C35H26N3OPt-
• Molecular Weight: 699.69 g/mol
• Exact Mass: 699.17
• IUPAC Name: 2-[6-[3-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• SMILES: Oc1ccccc1-c1cccc(-c2[c-]c(N(c3ccccc3)c3ccc(Cc4ccccc4)cn3)ccc2)n1.[Pt]
• InChI: InChI=1S/C35H26N3O.Pt/c39-34-20-8-7-17-31(34)33-19-10-18-32(37-33)28-13-9-16-30(24-28)38(29-14-5-2-6-15-29)35-22-21-27(25-36-35)23-26-11-3-1-4-12-26;/h1-22,25,39H,23H2;/q-1
• InChIKey: GHMLJUPUQGZYGW-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 49.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.69
LogP ≤ 5	8.37
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-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[6-[3-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (CID 164742678) is 2-[6-[3-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-[6-[3-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[6-[3-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is Oc1ccccc1-c1cccc(-c2[c-]c(N(c3ccccc3)c3ccc(Cc4ccccc4)cn3)ccc2)n1.[Pt].

What is the InChIKey of 2-[6-[3-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The InChIKey is GHMLJUPUQGZYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N3O.Pt/c39-34-20-8-7-17-31(34)33-19-10-18-32(37-33)28-13-9-16-30(24-28)38(29-14-5-2-6-15-29)35-22-21-27(25-36-35)23-26-11-3-1-4-12-26;/h1-22,25,39H,23H2;/q-1;.

What are the key properties of 2-[6-[3-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

2-[6-[3-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 699.69 g/mol, XLogP of 8.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-(N-(5-benzyl-2-pyridinyl)anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 164742678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).