4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(3,5-ditert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-(4-tert-butylphenyl)-1,3-benzoxazol-2-yl]phenol;platinum

C60H65N2O2Pt- — CID 177110187

About 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(3,5-ditert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-(4-tert-butylphenyl)-1,3-benzoxazol-2-yl]phenol;platinum

4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(3,5-ditert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-(4-tert-butylphenyl)-1,3-benzoxazol-2-yl]phenol;platinum (PubChem CID 177110187) has the molecular formula C60H65N2O2Pt- and a molecular weight of 1041.27 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(3,5-ditert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-(4-tert-butylphenyl)-1,3-benzoxazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(3,5-ditert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-(4-tert-butylphenyl)-1,3-benzoxazol-2-yl]phenol;platinum
• PubChem CID: 177110187
• Molecular Formula: C60H65N2O2Pt-
• Molecular Weight: 1041.27 g/mol
• Exact Mass: 1040.47
• IUPAC Name: 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(3,5-ditert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-(4-tert-butylphenyl)-1,3-benzoxazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1ccc(-c2cc(-c3[c-]c(-c4cc(C(C)(C)C)cc5c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)ccnc45)ccc3)c3nc(-c4cc(C(C)(C)C)ccc4O)oc3c2)cc1.[Pt]
• InChI: InChI=1S/C60H65N2O2.Pt/c1-56(2,3)41-21-19-36(20-22-41)39-30-47(54-52(31-39)64-55(62-54)50-33-42(57(4,5)6)23-24-51(50)63)37-17-16-18-38(27-37)48-34-45(60(13,14)15)35-49-46(25-26-61-53(48)49)40-28-43(58(7,8)9)32-44(29-40)59(10,11)12;/h16-26,28-35,63H,1-15H3;/q-1
• InChIKey: BHNTXWXMBGEILF-UHFFFAOYSA-N
• XLogP: 16.70
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1041.27
LogP ≤ 5	16.70
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 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(3,5-ditert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-(4-tert-butylphenyl)-1,3-benzoxazol-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(3,5-ditert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-(4-tert-butylphenyl)-1,3-benzoxazol-2-yl]phenol;platinum (CID 177110187) is 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(3,5-ditert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-(4-tert-butylphenyl)-1,3-benzoxazol-2-yl]phenol;platinum.

What is the SMILES notation for 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(3,5-ditert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-(4-tert-butylphenyl)-1,3-benzoxazol-2-yl]phenol;platinum?

The canonical SMILES for 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(3,5-ditert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-(4-tert-butylphenyl)-1,3-benzoxazol-2-yl]phenol;platinum is CC(C)(C)c1ccc(-c2cc(-c3[c-]c(-c4cc(C(C)(C)C)cc5c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)ccnc45)ccc3)c3nc(-c4cc(C(C)(C)C)ccc4O)oc3c2)cc1.[Pt].

What is the InChIKey of 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(3,5-ditert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-(4-tert-butylphenyl)-1,3-benzoxazol-2-yl]phenol;platinum?

The InChIKey is BHNTXWXMBGEILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H65N2O2.Pt/c1-56(2,3)41-21-19-36(20-22-41)39-30-47(54-52(31-39)64-55(62-54)50-33-42(57(4,5)6)23-24-51(50)63)37-17-16-18-38(27-37)48-34-45(60(13,14)15)35-49-46(25-26-61-53(48)49)40-28-43(58(7,8)9)32-44(29-40)59(10,11)12;/h16-26,28-35,63H,1-15H3;/q-1;.

What are the key properties of 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(3,5-ditert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-(4-tert-butylphenyl)-1,3-benzoxazol-2-yl]phenol;platinum?

4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(3,5-ditert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-(4-tert-butylphenyl)-1,3-benzoxazol-2-yl]phenol;platinum has a molecular weight of 1041.27 g/mol, XLogP of 16.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(3,5-ditert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-(4-tert-butylphenyl)-1,3-benzoxazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).