1-[1-phenyl-4-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-(trifluoromethyl)carbazol-9-ide;platinum(2+);3-[3-(2,4,6-trimethylphenyl)phenyl]pyridine

C61H47F3N4Pt — CID 176642591

About 1-[1-phenyl-4-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-(trifluoromethyl)carbazol-9-ide;platinum(2+);3-[3-(2,4,6-trimethylphenyl)phenyl]pyridine

1-[1-phenyl-4-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-(trifluoromethyl)carbazol-9-ide;platinum(2+);3-[3-(2,4,6-trimethylphenyl)phenyl]pyridine (PubChem CID 176642591) has the molecular formula C61H47F3N4Pt and a molecular weight of 1088.15 g/mol. Its IUPAC name is 1-[1-phenyl-4-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-(trifluoromethyl)carbazol-9-ide;platinum(2+);3-[3-(2,4,6-trimethylphenyl)phenyl]pyridine.

Molecular Properties

• Compound Name: 1-[1-phenyl-4-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-(trifluoromethyl)carbazol-9-ide;platinum(2+);3-[3-(2,4,6-trimethylphenyl)phenyl]pyridine
• PubChem CID: 176642591
• Molecular Formula: C61H47F3N4Pt
• Molecular Weight: 1088.15 g/mol
• Exact Mass: 1087.34
• IUPAC Name: 1-[1-phenyl-4-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-(trifluoromethyl)carbazol-9-ide;platinum(2+);3-[3-(2,4,6-trimethylphenyl)phenyl]pyridine
• SMILES: Cc1cc(C)c(-c2cc[c-]c(-c3cccc4c3nc(-c3ccc(C(F)(F)F)c5c3[n-]c3ccccc35)n4-c3ccccc3)c2)c(C)c1.Cc1cc(C)c(-c2cccc(-c3cccnc3)c2)c(C)c1.[Pt+2]
• InChI: InChI=1S/C41H28F3N3.C20H19N.Pt/c1-24-21-25(2)36(26(3)22-24)28-12-9-11-27(23-28)30-16-10-18-35-38(30)46-40(47(35)29-13-5-4-6-14-29)32-19-20-33(41(42,43)44)37-31-15-7-8-17-34(31)45-39(32)37;1-14-10-15(2)20(16(3)11-14)18-7-4-6-17(12-18)19-8-5-9-21-13-19;/h4-10,12-23H,1-3H3;4-13H,1-3H3;/q-2;;+2
• InChIKey: LSNXNIAQFSHPMR-UHFFFAOYSA-N
• XLogP: 16.37
• TPSA: 44.81 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1088.15
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-phenyl-4-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-(trifluoromethyl)carbazol-9-ide;platinum(2+);3-[3-(2,4,6-trimethylphenyl)phenyl]pyridine?

The IUPAC name of 1-[1-phenyl-4-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-(trifluoromethyl)carbazol-9-ide;platinum(2+);3-[3-(2,4,6-trimethylphenyl)phenyl]pyridine (CID 176642591) is 1-[1-phenyl-4-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-(trifluoromethyl)carbazol-9-ide;platinum(2+);3-[3-(2,4,6-trimethylphenyl)phenyl]pyridine.

What is the SMILES notation for 1-[1-phenyl-4-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-(trifluoromethyl)carbazol-9-ide;platinum(2+);3-[3-(2,4,6-trimethylphenyl)phenyl]pyridine?

The canonical SMILES for 1-[1-phenyl-4-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-(trifluoromethyl)carbazol-9-ide;platinum(2+);3-[3-(2,4,6-trimethylphenyl)phenyl]pyridine is Cc1cc(C)c(-c2cc[c-]c(-c3cccc4c3nc(-c3ccc(C(F)(F)F)c5c3[n-]c3ccccc35)n4-c3ccccc3)c2)c(C)c1.Cc1cc(C)c(-c2cccc(-c3cccnc3)c2)c(C)c1.[Pt+2].

What is the InChIKey of 1-[1-phenyl-4-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-(trifluoromethyl)carbazol-9-ide;platinum(2+);3-[3-(2,4,6-trimethylphenyl)phenyl]pyridine?

The InChIKey is LSNXNIAQFSHPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28F3N3.C20H19N.Pt/c1-24-21-25(2)36(26(3)22-24)28-12-9-11-27(23-28)30-16-10-18-35-38(30)46-40(47(35)29-13-5-4-6-14-29)32-19-20-33(41(42,43)44)37-31-15-7-8-17-34(31)45-39(32)37;1-14-10-15(2)20(16(3)11-14)18-7-4-6-17(12-18)19-8-5-9-21-13-19;/h4-10,12-23H,1-3H3;4-13H,1-3H3;/q-2;;+2.

What are the key properties of 1-[1-phenyl-4-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-(trifluoromethyl)carbazol-9-ide;platinum(2+);3-[3-(2,4,6-trimethylphenyl)phenyl]pyridine?

1-[1-phenyl-4-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-(trifluoromethyl)carbazol-9-ide;platinum(2+);3-[3-(2,4,6-trimethylphenyl)phenyl]pyridine has a molecular weight of 1088.15 g/mol, XLogP of 16.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-phenyl-4-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4-(trifluoromethyl)carbazol-9-ide;platinum(2+);3-[3-(2,4,6-trimethylphenyl)phenyl]pyridine is sourced from PubChem (CID 176642591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).