1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)

C50H28F3N5OPt — CID 176642528

About 1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)

1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) (PubChem CID 176642528) has the molecular formula C50H28F3N5OPt and a molecular weight of 966.88 g/mol. Its IUPAC name is 1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
• PubChem CID: 176642528
• Molecular Formula: C50H28F3N5OPt
• Molecular Weight: 966.88 g/mol
• Exact Mass: 966.19
• IUPAC Name: 1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
• SMILES: Cc1cc(-c2[c-]c3c(cc2)c2cc(C(F)(F)F)ccc2n3-c2nccc3c2oc2ccccc23)c2nc(-c3cccc4c3[n-]c3ccccc34)n(-c3ccccc3)c2c1.[Pt+2]
• InChI: InChI=1S/C50H28F3N5O.Pt/c1-28-24-38(46-43(25-28)57(31-10-3-2-4-11-31)48(56-46)37-15-9-14-35-32-12-5-7-16-40(32)55-45(35)37)29-18-20-33-39-27-30(50(51,52)53)19-21-41(39)58(42(33)26-29)49-47-36(22-23-54-49)34-13-6-8-17-44(34)59-47;/h2-25,27H,1H3;/q-2;+2
• InChIKey: YNKOZELAJGLMAK-UHFFFAOYSA-N
• XLogP: 13.14
• TPSA: 62.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	966.88
LogP ≤ 5	13.14
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 1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)?

The IUPAC name of 1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) (CID 176642528) is 1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+).

What is the SMILES notation for 1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)?

The canonical SMILES for 1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) is Cc1cc(-c2[c-]c3c(cc2)c2cc(C(F)(F)F)ccc2n3-c2nccc3c2oc2ccccc23)c2nc(-c3cccc4c3[n-]c3ccccc34)n(-c3ccccc3)c2c1.[Pt+2].

What is the InChIKey of 1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)?

The InChIKey is YNKOZELAJGLMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28F3N5O.Pt/c1-28-24-38(46-43(25-28)57(31-10-3-2-4-11-31)48(56-46)37-15-9-14-35-32-12-5-7-16-40(32)55-45(35)37)29-18-20-33-39-27-30(50(51,52)53)19-21-41(39)58(42(33)26-29)49-47-36(22-23-54-49)34-13-6-8-17-44(34)59-47;/h2-25,27H,1H3;/q-2;+2.

What are the key properties of 1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)?

1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) has a molecular weight of 966.88 g/mol, XLogP of 13.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) is sourced from PubChem (CID 176642528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).