2-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum

C53H54N3OPt- — CID 164743211

About 2-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum

2-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 164743211) has the molecular formula C53H54N3OPt- and a molecular weight of 944.11 g/mol. Its IUPAC name is 2-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
• PubChem CID: 164743211
• Molecular Formula: C53H54N3OPt-
• Molecular Weight: 944.11 g/mol
• Exact Mass: 943.39
• IUPAC Name: 2-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3cccc(Cc4ccccc4)c3)cc(-c3ccccc3O)n2)[c-]c(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccccn2)c1.[Pt]
• InChI: InChI=1S/C53H54N3O.Pt/c1-51(2,3)41-28-40(29-44(33-41)56(50-24-15-16-25-54-50)45-34-42(52(4,5)6)32-43(35-45)53(7,8)9)47-30-39(31-48(55-47)46-22-13-14-23-49(46)57)38-21-17-20-37(27-38)26-36-18-11-10-12-19-36;/h10-25,27-28,30-35,57H,26H2,1-9H3;/q-1
• InChIKey: OPYVSQMWIOVJAN-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 49.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.11
LogP ≤ 5	13.93
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-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum (CID 164743211) is 2-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3cccc(Cc4ccccc4)c3)cc(-c3ccccc3O)n2)[c-]c(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccccn2)c1.[Pt].

What is the InChIKey of 2-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum?

The InChIKey is OPYVSQMWIOVJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H54N3O.Pt/c1-51(2,3)41-28-40(29-44(33-41)56(50-24-15-16-25-54-50)45-34-42(52(4,5)6)32-43(35-45)53(7,8)9)47-30-39(31-48(55-47)46-22-13-14-23-49(46)57)38-21-17-20-37(27-38)26-36-18-11-10-12-19-36;/h10-25,27-28,30-35,57H,26H2,1-9H3;/q-1;.

What are the key properties of 2-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum?

2-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 944.11 g/mol, XLogP of 13.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-benzylphenyl)-6-[3-tert-butyl-5-(3,5-ditert-butyl-N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 164743211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).