2-tert-butyl-6-[4-[3-[5-(1-deuterio-1-pyridin-4-ylethyl)-2-pyridinyl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-6-phenyl-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum

C56H48N3OPtS- — CID 164743342

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

2-tert-butyl-6-[4-[3-[5-(1-deuterio-1-pyridin-4-ylethyl)-2-pyridinyl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-6-phenyl-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum (PubChem CID 164743342) has the molecular formula C56H48N3OPtS- and a molecular weight of 1007.17 g/mol. Its IUPAC name is 2-tert-butyl-6-[4-[3-[5-(1-deuterio-1-pyridin-4-ylethyl)-2-pyridinyl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-6-phenyl-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum.

Molecular Properties

• Compound Name: 2-tert-butyl-6-[4-[3-[5-(1-deuterio-1-pyridin-4-ylethyl)-2-pyridinyl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-6-phenyl-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum
• PubChem CID: 164743342
• Molecular Formula: C56H48N3OPtS-
• Molecular Weight: 1007.17 g/mol
• Exact Mass: 1006.32
• IUPAC Name: 2-tert-butyl-6-[4-[3-[5-(1-deuterio-1-pyridin-4-ylethyl)-2-pyridinyl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-6-phenyl-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum
• SMILES: [2H]C(C)(c1ccncc1)c1ccc(-c2[c-]c(-c3cc(-c4ccccc4)cc4sc(-c5cc(-c6ccccc6)cc(C(C)(C)C)c5O)nc34)cc(C(C)(C)c3ccccc3)c2)nc1.[Pt]
• InChI: InChI=1S/C56H48N3OS.Pt/c1-36(37-24-26-57-27-25-37)40-22-23-50(58-35-40)44-28-43(29-46(30-44)56(5,6)45-20-14-9-15-21-45)47-31-42(39-18-12-8-13-19-39)34-51-52(47)59-54(61-51)48-32-41(38-16-10-7-11-17-38)33-49(53(48)60)55(2,3)4;/h7-27,29-36,60H,1-6H3;/q-1;/i36D
• InChIKey: BOJMJCCTTWORBB-YQQWSWCQSA-N
• XLogP: 14.70
• TPSA: 58.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1007.17
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-[5-(1-deuterio-1-pyridin-4-ylethyl)-2-pyridinyl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-6-phenyl-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum?

The IUPAC name of 2-tert-butyl-6-[4-[3-[5-(1-deuterio-1-pyridin-4-ylethyl)-2-pyridinyl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-6-phenyl-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum (CID 164743342) is 2-tert-butyl-6-[4-[3-[5-(1-deuterio-1-pyridin-4-ylethyl)-2-pyridinyl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-6-phenyl-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum.

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

The canonical SMILES for 2-tert-butyl-6-[4-[3-[5-(1-deuterio-1-pyridin-4-ylethyl)-2-pyridinyl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-6-phenyl-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum is [2H]C(C)(c1ccncc1)c1ccc(-c2[c-]c(-c3cc(-c4ccccc4)cc4sc(-c5cc(-c6ccccc6)cc(C(C)(C)C)c5O)nc34)cc(C(C)(C)c3ccccc3)c2)nc1.[Pt].

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

The InChIKey is BOJMJCCTTWORBB-YQQWSWCQSA-N. The full InChI is InChI=1S/C56H48N3OS.Pt/c1-36(37-24-26-57-27-25-37)40-22-23-50(58-35-40)44-28-43(29-46(30-44)56(5,6)45-20-14-9-15-21-45)47-31-42(39-18-12-8-13-19-39)34-51-52(47)59-54(61-51)48-32-41(38-16-10-7-11-17-38)33-49(53(48)60)55(2,3)4;/h7-27,29-36,60H,1-6H3;/q-1;/i36D;.

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

2-tert-butyl-6-[4-[3-[5-(1-deuterio-1-pyridin-4-ylethyl)-2-pyridinyl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-6-phenyl-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum has a molecular weight of 1007.17 g/mol, XLogP of 14.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6-[4-[3-[5-(1-deuterio-1-pyridin-4-ylethyl)-2-pyridinyl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-6-phenyl-1,3-benzothiazol-2-yl]-4-phenylphenol;platinum is sourced from PubChem (CID 164743342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).