1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-tert-butylphenyl]-2-[3-[3-(2-tert-butylphenyl)-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole;platinum(2+)

C62H53F6N3OPt — CID 167388014

About 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-tert-butylphenyl]-2-[3-[3-(2-tert-butylphenyl)-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole;platinum(2+)

1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-tert-butylphenyl]-2-[3-[3-(2-tert-butylphenyl)-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole;platinum(2+) (PubChem CID 167388014) has the molecular formula C62H53F6N3OPt and a molecular weight of 1165.19 g/mol. Its IUPAC name is 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-tert-butylphenyl]-2-[3-[3-(2-tert-butylphenyl)-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-tert-butylphenyl]-2-[3-[3-(2-tert-butylphenyl)-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole;platinum(2+)
• PubChem CID: 167388014
• Molecular Formula: C62H53F6N3OPt
• Molecular Weight: 1165.19 g/mol
• Exact Mass: 1164.37
• IUPAC Name: 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-tert-butylphenyl]-2-[3-[3-(2-tert-butylphenyl)-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4-c4ccc(-c5ccc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)cc5)cc4C(C)(C)C)ccc3)cc(-c3ccccc3C(C)(C)C)c2)c1.[Pt+2]
• InChI: InChI=1S/C62H53F6N3O.Pt/c1-58(2,3)45-27-28-69-54(37-45)44-29-43(50-17-10-11-18-51(50)59(4,5)6)33-49(34-44)72-48-16-14-15-41(32-48)57-70-53-19-12-13-20-56(53)71(57)55-26-25-40(35-52(55)60(7,8)9)38-21-23-39(24-22-38)42-30-46(61(63,64)65)36-47(31-42)62(66,67)68;/h10-31,33,35-37H,1-9H3;/q-2;+2
• InChIKey: MUECHMFYWGSWFY-UHFFFAOYSA-N
• XLogP: 18.08
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1165.19
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	0
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 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-tert-butylphenyl]-2-[3-[3-(2-tert-butylphenyl)-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole;platinum(2+)?

The IUPAC name of 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-tert-butylphenyl]-2-[3-[3-(2-tert-butylphenyl)-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole;platinum(2+) (CID 167388014) is 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-tert-butylphenyl]-2-[3-[3-(2-tert-butylphenyl)-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole;platinum(2+).

What is the SMILES notation for 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-tert-butylphenyl]-2-[3-[3-(2-tert-butylphenyl)-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole;platinum(2+)?

The canonical SMILES for 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-tert-butylphenyl]-2-[3-[3-(2-tert-butylphenyl)-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole;platinum(2+) is CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4-c4ccc(-c5ccc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)cc5)cc4C(C)(C)C)ccc3)cc(-c3ccccc3C(C)(C)C)c2)c1.[Pt+2].

What is the InChIKey of 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-tert-butylphenyl]-2-[3-[3-(2-tert-butylphenyl)-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole;platinum(2+)?

The InChIKey is MUECHMFYWGSWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H53F6N3O.Pt/c1-58(2,3)45-27-28-69-54(37-45)44-29-43(50-17-10-11-18-51(50)59(4,5)6)33-49(34-44)72-48-16-14-15-41(32-48)57-70-53-19-12-13-20-56(53)71(57)55-26-25-40(35-52(55)60(7,8)9)38-21-23-39(24-22-38)42-30-46(61(63,64)65)36-47(31-42)62(66,67)68;/h10-31,33,35-37H,1-9H3;/q-2;+2.

What are the key properties of 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-tert-butylphenyl]-2-[3-[3-(2-tert-butylphenyl)-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole;platinum(2+)?

1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-tert-butylphenyl]-2-[3-[3-(2-tert-butylphenyl)-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole;platinum(2+) has a molecular weight of 1165.19 g/mol, XLogP of 18.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-tert-butylphenyl]-2-[3-[3-(2-tert-butylphenyl)-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-2-id-1-yl]benzimidazole;platinum(2+) is sourced from PubChem (CID 167388014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).