2-[3-[6-[1-(2-tert-butyl-4-phenylphenyl)imidazol-2-yl]-9-[4-(1,2,2-trifluoroethenyl)phenyl]-5H-naphtho[2,1-b][1]benzofuran-5-id-4-yl]benzene-2-id-1-yl]pyridine;platinum(2+)

C54H36F3N3OPt — CID 171051644

About 2-[3-[6-[1-(2-tert-butyl-4-phenylphenyl)imidazol-2-yl]-9-[4-(1,2,2-trifluoroethenyl)phenyl]-5H-naphtho[2,1-b][1]benzofuran-5-id-4-yl]benzene-2-id-1-yl]pyridine;platinum(2+)

2-[3-[6-[1-(2-tert-butyl-4-phenylphenyl)imidazol-2-yl]-9-[4-(1,2,2-trifluoroethenyl)phenyl]-5H-naphtho[2,1-b][1]benzofuran-5-id-4-yl]benzene-2-id-1-yl]pyridine;platinum(2+) (PubChem CID 171051644) has the molecular formula C54H36F3N3OPt and a molecular weight of 994.97 g/mol. Its IUPAC name is 2-[3-[6-[1-(2-tert-butyl-4-phenylphenyl)imidazol-2-yl]-9-[4-(1,2,2-trifluoroethenyl)phenyl]-5H-naphtho[2,1-b][1]benzofuran-5-id-4-yl]benzene-2-id-1-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[6-[1-(2-tert-butyl-4-phenylphenyl)imidazol-2-yl]-9-[4-(1,2,2-trifluoroethenyl)phenyl]-5H-naphtho[2,1-b][1]benzofuran-5-id-4-yl]benzene-2-id-1-yl]pyridine;platinum(2+)
• PubChem CID: 171051644
• Molecular Formula: C54H36F3N3OPt
• Molecular Weight: 994.97 g/mol
• Exact Mass: 994.25
• IUPAC Name: 2-[3-[6-[1-(2-tert-butyl-4-phenylphenyl)imidazol-2-yl]-9-[4-(1,2,2-trifluoroethenyl)phenyl]-5H-naphtho[2,1-b][1]benzofuran-5-id-4-yl]benzene-2-id-1-yl]pyridine;platinum(2+)
• SMILES: CC(C)(C)c1cc(-c2ccccc2)ccc1-n1ccnc1-c1[c-]c2c(-c3[c-]c(-c4ccccn4)ccc3)cccc2c2c1oc1cc(-c3ccc(C(F)=C(F)F)cc3)ccc12.[Pt+2]
• InChI: InChI=1S/C54H36F3N3O.Pt/c1-54(2,3)45-30-36(33-11-5-4-6-12-33)23-25-47(45)60-28-27-59-53(60)44-32-43-40(38-13-9-14-39(29-38)46-17-7-8-26-58-46)15-10-16-41(43)49-42-24-22-37(31-48(42)61-51(44)49)34-18-20-35(21-19-34)50(55)52(56)57;/h4-28,30-31H,1-3H3;/q-2;+2
• InChIKey: YISHJHRROFIBSO-UHFFFAOYSA-N
• XLogP: 15.08
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	994.97
LogP ≤ 5	15.08
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 2-[3-[6-[1-(2-tert-butyl-4-phenylphenyl)imidazol-2-yl]-9-[4-(1,2,2-trifluoroethenyl)phenyl]-5H-naphtho[2,1-b][1]benzofuran-5-id-4-yl]benzene-2-id-1-yl]pyridine;platinum(2+)?

The IUPAC name of 2-[3-[6-[1-(2-tert-butyl-4-phenylphenyl)imidazol-2-yl]-9-[4-(1,2,2-trifluoroethenyl)phenyl]-5H-naphtho[2,1-b][1]benzofuran-5-id-4-yl]benzene-2-id-1-yl]pyridine;platinum(2+) (CID 171051644) is 2-[3-[6-[1-(2-tert-butyl-4-phenylphenyl)imidazol-2-yl]-9-[4-(1,2,2-trifluoroethenyl)phenyl]-5H-naphtho[2,1-b][1]benzofuran-5-id-4-yl]benzene-2-id-1-yl]pyridine;platinum(2+).

What is the SMILES notation for 2-[3-[6-[1-(2-tert-butyl-4-phenylphenyl)imidazol-2-yl]-9-[4-(1,2,2-trifluoroethenyl)phenyl]-5H-naphtho[2,1-b][1]benzofuran-5-id-4-yl]benzene-2-id-1-yl]pyridine;platinum(2+)?

The canonical SMILES for 2-[3-[6-[1-(2-tert-butyl-4-phenylphenyl)imidazol-2-yl]-9-[4-(1,2,2-trifluoroethenyl)phenyl]-5H-naphtho[2,1-b][1]benzofuran-5-id-4-yl]benzene-2-id-1-yl]pyridine;platinum(2+) is CC(C)(C)c1cc(-c2ccccc2)ccc1-n1ccnc1-c1[c-]c2c(-c3[c-]c(-c4ccccn4)ccc3)cccc2c2c1oc1cc(-c3ccc(C(F)=C(F)F)cc3)ccc12.[Pt+2].

What is the InChIKey of 2-[3-[6-[1-(2-tert-butyl-4-phenylphenyl)imidazol-2-yl]-9-[4-(1,2,2-trifluoroethenyl)phenyl]-5H-naphtho[2,1-b][1]benzofuran-5-id-4-yl]benzene-2-id-1-yl]pyridine;platinum(2+)?

The InChIKey is YISHJHRROFIBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36F3N3O.Pt/c1-54(2,3)45-30-36(33-11-5-4-6-12-33)23-25-47(45)60-28-27-59-53(60)44-32-43-40(38-13-9-14-39(29-38)46-17-7-8-26-58-46)15-10-16-41(43)49-42-24-22-37(31-48(42)61-51(44)49)34-18-20-35(21-19-34)50(55)52(56)57;/h4-28,30-31H,1-3H3;/q-2;+2.

What are the key properties of 2-[3-[6-[1-(2-tert-butyl-4-phenylphenyl)imidazol-2-yl]-9-[4-(1,2,2-trifluoroethenyl)phenyl]-5H-naphtho[2,1-b][1]benzofuran-5-id-4-yl]benzene-2-id-1-yl]pyridine;platinum(2+)?

2-[3-[6-[1-(2-tert-butyl-4-phenylphenyl)imidazol-2-yl]-9-[4-(1,2,2-trifluoroethenyl)phenyl]-5H-naphtho[2,1-b][1]benzofuran-5-id-4-yl]benzene-2-id-1-yl]pyridine;platinum(2+) has a molecular weight of 994.97 g/mol, XLogP of 15.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[6-[1-(2-tert-butyl-4-phenylphenyl)imidazol-2-yl]-9-[4-(1,2,2-trifluoroethenyl)phenyl]-5H-naphtho[2,1-b][1]benzofuran-5-id-4-yl]benzene-2-id-1-yl]pyridine;platinum(2+) is sourced from PubChem (CID 171051644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).