2-tert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-(1-phenylethyl)phenol;platinum

C55H53N2OPtS- — CID 164742075

About 2-tert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-(1-phenylethyl)phenol;platinum

2-tert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-(1-phenylethyl)phenol;platinum (PubChem CID 164742075) has the molecular formula C55H53N2OPtS- and a molecular weight of 985.19 g/mol. Its IUPAC name is 2-tert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-(1-phenylethyl)phenol;platinum.

Molecular Properties

• Compound Name: 2-tert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-(1-phenylethyl)phenol;platinum
• PubChem CID: 164742075
• Molecular Formula: C55H53N2OPtS-
• Molecular Weight: 985.19 g/mol
• Exact Mass: 984.35
• IUPAC Name: 2-tert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-(1-phenylethyl)phenol;platinum
• SMILES: CC(c1ccccc1)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C)(C)c7ccccc7)cc6)ccn5)cc(C(C)(C)C)c4)cccc3s2)c(O)c(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C55H53N2OS.Pt/c1-35(36-17-12-10-13-18-36)39-32-46(51(58)47(33-39)54(5,6)7)52-57-50-45(21-16-22-49(50)59-52)40-29-41(31-44(30-40)53(2,3)4)48-34-38(27-28-56-48)37-23-25-43(26-24-37)55(8,9)42-19-14-11-15-20-42;/h10-28,30-35,58H,1-9H3;/q-1
• InChIKey: NRRJHFHSZYAGME-UHFFFAOYSA-N
• XLogP: 14.94
• TPSA: 46.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	985.19
LogP ≤ 5	14.94
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-tert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-(1-phenylethyl)phenol;platinum?

The IUPAC name of 2-tert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-(1-phenylethyl)phenol;platinum (CID 164742075) is 2-tert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-(1-phenylethyl)phenol;platinum.

What is the SMILES notation for 2-tert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-(1-phenylethyl)phenol;platinum?

The canonical SMILES for 2-tert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-(1-phenylethyl)phenol;platinum is CC(c1ccccc1)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C)(C)c7ccccc7)cc6)ccn5)cc(C(C)(C)C)c4)cccc3s2)c(O)c(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2-tert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-(1-phenylethyl)phenol;platinum?

The InChIKey is NRRJHFHSZYAGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H53N2OS.Pt/c1-35(36-17-12-10-13-18-36)39-32-46(51(58)47(33-39)54(5,6)7)52-57-50-45(21-16-22-49(50)59-52)40-29-41(31-44(30-40)53(2,3)4)48-34-38(27-28-56-48)37-23-25-43(26-24-37)55(8,9)42-19-14-11-15-20-42;/h10-28,30-35,58H,1-9H3;/q-1;.

What are the key properties of 2-tert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-(1-phenylethyl)phenol;platinum?

2-tert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-(1-phenylethyl)phenol;platinum has a molecular weight of 985.19 g/mol, XLogP of 14.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]-4-(1-phenylethyl)phenol;platinum is sourced from PubChem (CID 164742075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).