2-[1-[2,6-di(propan-2-yl)cyclohepta-1,3,5-trien-1-yl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum

C42H46N5OPt- — CID 162491759

About 2-[1-[2,6-di(propan-2-yl)cyclohepta-1,3,5-trien-1-yl]-4-[3-[4-[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-[2,6-di(propan-2-yl)cyclohepta-1,3,5-trien-1-yl]-4-[3-[4-[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 162491759) has the molecular formula C42H46N5OPt- and a molecular weight of 831.94 g/mol. Its IUPAC name is 2-[1-[2,6-di(propan-2-yl)cyclohepta-1,3,5-trien-1-yl]-4-[3-[4-[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-[2,6-di(propan-2-yl)cyclohepta-1,3,5-trien-1-yl]-4-[3-[4-[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: 162491759
• Molecular Formula: C42H46N5OPt-
• Molecular Weight: 831.94 g/mol
• Exact Mass: 831.34
• IUPAC Name: 2-[1-[2,6-di(propan-2-yl)cyclohepta-1,3,5-trien-1-yl]-4-[3-[4-[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)C1=CC=CC(C(C)C)=C(n2cc(-c3[c-]c(-c4nncn4-c4c(C(C)C)cccc4C(C)C)ccc3)nc2-c2ccccc2O)C1.[Pt]
• InChI: InChI=1S/C42H46N5O.Pt/c1-26(2)30-14-12-18-33(27(3)4)38(23-30)46-24-37(44-42(46)36-17-9-10-21-39(36)48)31-15-11-16-32(22-31)41-45-43-25-47(41)40-34(28(5)6)19-13-20-35(40)29(7)8;/h9-21,24-29,48H,23H2,1-8H3;/q-1
• InChIKey: IZTBWTCLNJOATD-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 68.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.94
LogP ≤ 5	10.62
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-[2,6-di(propan-2-yl)cyclohepta-1,3,5-trien-1-yl]-4-[3-[4-[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-[2,6-di(propan-2-yl)cyclohepta-1,3,5-trien-1-yl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum (CID 162491759) is 2-[1-[2,6-di(propan-2-yl)cyclohepta-1,3,5-trien-1-yl]-4-[3-[4-[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-[2,6-di(propan-2-yl)cyclohepta-1,3,5-trien-1-yl]-4-[3-[4-[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-[2,6-di(propan-2-yl)cyclohepta-1,3,5-trien-1-yl]-4-[3-[4-[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)C1=CC=CC(C(C)C)=C(n2cc(-c3[c-]c(-c4nncn4-c4c(C(C)C)cccc4C(C)C)ccc3)nc2-c2ccccc2O)C1.[Pt].

What is the InChIKey of 2-[1-[2,6-di(propan-2-yl)cyclohepta-1,3,5-trien-1-yl]-4-[3-[4-[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 IZTBWTCLNJOATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46N5O.Pt/c1-26(2)30-14-12-18-33(27(3)4)38(23-30)46-24-37(44-42(46)36-17-9-10-21-39(36)48)31-15-11-16-32(22-31)41-45-43-25-47(41)40-34(28(5)6)19-13-20-35(40)29(7)8;/h9-21,24-29,48H,23H2,1-8H3;/q-1;.

What are the key properties of 2-[1-[2,6-di(propan-2-yl)cyclohepta-1,3,5-trien-1-yl]-4-[3-[4-[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-[2,6-di(propan-2-yl)cyclohepta-1,3,5-trien-1-yl]-4-[3-[4-[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 831.94 g/mol, XLogP of 10.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2,6-di(propan-2-yl)cyclohepta-1,3,5-trien-1-yl]-4-[3-[4-[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 162491759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).