1-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]naphthalen-2-ol;platinum

C54H51F3N3OPt- — CID 177293820

About 1-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]naphthalen-2-ol;platinum

1-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]naphthalen-2-ol;platinum (PubChem CID 177293820) has the molecular formula C54H51F3N3OPt- and a molecular weight of 1010.09 g/mol. Its IUPAC name is 1-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]naphthalen-2-ol;platinum.

Molecular Properties

• Compound Name: 1-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]naphthalen-2-ol;platinum
• PubChem CID: 177293820
• Molecular Formula: C54H51F3N3OPt-
• Molecular Weight: 1010.09 g/mol
• Exact Mass: 1009.36
• IUPAC Name: 1-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]naphthalen-2-ol;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2c(O)ccc3ccccc23)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)cc(C(C)(C)C(F)(F)F)cc21.[Pt]
• InChI: InChI=1S/C54H51F3N3O.Pt/c1-32(2)41-20-15-21-42(33(3)4)50(41)60-46-31-40(53(8,9)54(55,56)57)30-44(49(46)59-51(60)48-43-19-14-13-18-35(43)22-23-47(48)61)37-26-38(28-39(27-37)52(5,6)7)45-29-36(24-25-58-45)34-16-11-10-12-17-34;/h10-25,27-33,61H,1-9H3;/q-1
• InChIKey: VKZPEBYCIATDNE-UHFFFAOYSA-N
• XLogP: 15.13
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1010.09
LogP ≤ 5	15.13
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 1-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]naphthalen-2-ol;platinum?

The IUPAC name of 1-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]naphthalen-2-ol;platinum (CID 177293820) is 1-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]naphthalen-2-ol;platinum.

What is the SMILES notation for 1-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]naphthalen-2-ol;platinum?

The canonical SMILES for 1-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]naphthalen-2-ol;platinum is CC(C)c1cccc(C(C)C)c1-n1c(-c2c(O)ccc3ccccc23)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)cc(C(C)(C)C(F)(F)F)cc21.[Pt].

What is the InChIKey of 1-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]naphthalen-2-ol;platinum?

The InChIKey is VKZPEBYCIATDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H51F3N3O.Pt/c1-32(2)41-20-15-21-42(33(3)4)50(41)60-46-31-40(53(8,9)54(55,56)57)30-44(49(46)59-51(60)48-43-19-14-13-18-35(43)22-23-47(48)61)37-26-38(28-39(27-37)52(5,6)7)45-29-36(24-25-58-45)34-16-11-10-12-17-34;/h10-25,27-33,61H,1-9H3;/q-1;.

What are the key properties of 1-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]naphthalen-2-ol;platinum?

1-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]naphthalen-2-ol;platinum has a molecular weight of 1010.09 g/mol, XLogP of 15.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]naphthalen-2-ol;platinum is sourced from PubChem (CID 177293820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).