2-[3-tert-butyl-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C50H42FN4OPt-3 — CID 172530591

About 2-[3-tert-butyl-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-tert-butyl-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172530591) has the molecular formula C50H42FN4OPt-3 and a molecular weight of 928.99 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172530591
• Molecular Formula: C50H42FN4OPt-3
• Molecular Weight: 928.99 g/mol
• Exact Mass: 928.30
• IUPAC Name: 2-[3-tert-butyl-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3ccccc3-c3ccc(F)cc3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C50H42FN4O.Pt/c1-49(2,3)34-25-26-52-48(29-34)55-44-16-10-8-14-41(44)42-24-23-38(31-47(42)55)56-39-28-35(50(4,5)6)27-37(30-39)53-32-54(46-18-12-11-17-45(46)53)43-15-9-7-13-40(43)33-19-21-36(51)22-20-33;/h7-29,32H,1-6H3;/q-3
• InChIKey: AWOJUAAPVANEDB-UHFFFAOYSA-N
• XLogP: 13.38
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.99
LogP ≤ 5	13.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172530591) is 2-[3-tert-butyl-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-tert-butyl-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-tert-butyl-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3ccccc3-c3ccc(F)cc3)c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-tert-butyl-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is AWOJUAAPVANEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42FN4O.Pt/c1-49(2,3)34-25-26-52-48(29-34)55-44-16-10-8-14-41(44)42-24-23-38(31-47(42)55)56-39-28-35(50(4,5)6)27-37(30-39)53-32-54(46-18-12-11-17-45(46)53)43-15-9-7-13-40(43)33-19-21-36(51)22-20-33;/h7-29,32H,1-6H3;/q-3;.

What are the key properties of 2-[3-tert-butyl-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[3-tert-butyl-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 928.99 g/mol, XLogP of 13.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172530591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).