2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum

C53H52N5OPt- — CID 162491899

About 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum

2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum (PubChem CID 162491899) has the molecular formula C53H52N5OPt- and a molecular weight of 970.11 g/mol. Its IUPAC name is 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum
• PubChem CID: 162491899
• Molecular Formula: C53H52N5OPt-
• Molecular Weight: 970.11 g/mol
• Exact Mass: 969.38
• IUPAC Name: 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1cnnc1-c1[c-]c(-c2cn(-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)c(-c3ccccc3O)n2)ccc1.[Pt]
• InChI: InChI=1S/C53H52N5O.Pt/c1-33(2)44-27-41(37-18-11-9-12-19-37)28-45(34(3)4)50(44)57-31-48(55-53(57)43-24-15-16-25-49(43)59)39-22-17-23-40(26-39)52-56-54-32-58(52)51-46(35(5)6)29-42(30-47(51)36(7)8)38-20-13-10-14-21-38;/h9-25,27-36,59H,1-8H3;/q-1
• InChIKey: NLRYFNSRYYYRCT-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 68.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.11
LogP ≤ 5	13.78
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-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum (CID 162491899) is 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1cnnc1-c1[c-]c(-c2cn(-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)c(-c3ccccc3O)n2)ccc1.[Pt].

What is the InChIKey of 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum?

The InChIKey is NLRYFNSRYYYRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H52N5O.Pt/c1-33(2)44-27-41(37-18-11-9-12-19-37)28-45(34(3)4)50(44)57-31-48(55-53(57)43-24-15-16-25-49(43)59)39-22-17-23-40(26-39)52-56-54-32-58(52)51-46(35(5)6)29-42(30-47(51)36(7)8)38-20-13-10-14-21-38;/h9-25,27-36,59H,1-8H3;/q-1;.

What are the key properties of 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum?

2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum has a molecular weight of 970.11 g/mol, XLogP of 13.78, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162491899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).