4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum

C60H62N3OPt- — CID 164713676

About 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum

4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 164713676) has the molecular formula C60H62N3OPt- and a molecular weight of 1036.25 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164713676
• Molecular Formula: C60H62N3OPt-
• Molecular Weight: 1036.25 g/mol
• Exact Mass: 1035.45
• IUPAC Name: 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccc(C4CCCCC4)cc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)ccc2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C60H62N3O.Pt/c1-58(2,3)46-27-29-53(50(37-46)42-19-14-11-15-20-42)63-54-22-16-21-49(56(54)62-57(63)51-38-47(59(4,5)6)28-30-55(51)64)44-33-45(35-48(34-44)60(7,8)9)52-36-43(31-32-61-52)41-25-23-40(24-26-41)39-17-12-10-13-18-39;/h11,14-16,19-32,34-39,64H,10,12-13,17-18H2,1-9H3;/q-1
• InChIKey: NXPCRNDNWLNPEE-UHFFFAOYSA-N
• XLogP: 16.20
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1036.25
LogP ≤ 5	16.20
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-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 164713676) is 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccc(C4CCCCC4)cc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)ccc2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt].

What is the InChIKey of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is NXPCRNDNWLNPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H62N3O.Pt/c1-58(2,3)46-27-29-53(50(37-46)42-19-14-11-15-20-42)63-54-22-16-21-49(56(54)62-57(63)51-38-47(59(4,5)6)28-30-55(51)64)44-33-45(35-48(34-44)60(7,8)9)52-36-43(31-32-61-52)41-25-23-40(24-26-41)39-17-12-10-13-18-39;/h11,14-16,19-32,34-39,64H,10,12-13,17-18H2,1-9H3;/q-1;.

What are the key properties of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1036.25 g/mol, XLogP of 16.20, 7 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-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164713676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).