9-[1-(3-tert-butylphenyl)-2-carbazol-9-id-1-ylbenzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)

C53H34F3N5OPt — CID 176642475

About 9-[1-(3-tert-butylphenyl)-2-carbazol-9-id-1-ylbenzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)

9-[1-(3-tert-butylphenyl)-2-carbazol-9-id-1-ylbenzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+) (PubChem CID 176642475) has the molecular formula C53H34F3N5OPt and a molecular weight of 1008.96 g/mol. Its IUPAC name is 9-[1-(3-tert-butylphenyl)-2-carbazol-9-id-1-ylbenzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-[1-(3-tert-butylphenyl)-2-carbazol-9-id-1-ylbenzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)
• PubChem CID: 176642475
• Molecular Formula: C53H34F3N5OPt
• Molecular Weight: 1008.96 g/mol
• Exact Mass: 1008.24
• IUPAC Name: 9-[1-(3-tert-butylphenyl)-2-carbazol-9-id-1-ylbenzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)
• SMILES: CC(C)(C)c1cccc(-n2c(-c3cccc4c3[n-]c3ccccc34)nc3c(-c4[c-]c5c(cc4)c4cc6c(cc4n5-c4cc(C(F)(F)F)ccn4)oc4ccccc46)cccc32)c1.[Pt+2]
• InChI: InChI=1S/C53H34F3N5O.Pt/c1-52(2,3)31-11-8-12-33(26-31)60-43-19-10-15-34(50(43)59-51(60)39-17-9-16-38-35-13-4-6-18-42(35)58-49(38)39)30-21-22-36-40-28-41-37-14-5-7-20-46(37)62-47(41)29-45(40)61(44(36)25-30)48-27-32(23-24-57-48)53(54,55)56;/h4-24,26-29H,1-3H3;/q-2;+2
• InChIKey: LJUFXLLTFWEVPZ-UHFFFAOYSA-N
• XLogP: 14.13
• TPSA: 62.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1008.96
LogP ≤ 5	14.13
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 9-[1-(3-tert-butylphenyl)-2-carbazol-9-id-1-ylbenzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)?

The IUPAC name of 9-[1-(3-tert-butylphenyl)-2-carbazol-9-id-1-ylbenzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+) (CID 176642475) is 9-[1-(3-tert-butylphenyl)-2-carbazol-9-id-1-ylbenzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+).

What is the SMILES notation for 9-[1-(3-tert-butylphenyl)-2-carbazol-9-id-1-ylbenzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)?

The canonical SMILES for 9-[1-(3-tert-butylphenyl)-2-carbazol-9-id-1-ylbenzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+) is CC(C)(C)c1cccc(-n2c(-c3cccc4c3[n-]c3ccccc34)nc3c(-c4[c-]c5c(cc4)c4cc6c(cc4n5-c4cc(C(F)(F)F)ccn4)oc4ccccc46)cccc32)c1.[Pt+2].

What is the InChIKey of 9-[1-(3-tert-butylphenyl)-2-carbazol-9-id-1-ylbenzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)?

The InChIKey is LJUFXLLTFWEVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34F3N5O.Pt/c1-52(2,3)31-11-8-12-33(26-31)60-43-19-10-15-34(50(43)59-51(60)39-17-9-16-38-35-13-4-6-18-42(35)58-49(38)39)30-21-22-36-40-28-41-37-14-5-7-20-46(37)62-47(41)29-45(40)61(44(36)25-30)48-27-32(23-24-57-48)53(54,55)56;/h4-24,26-29H,1-3H3;/q-2;+2.

What are the key properties of 9-[1-(3-tert-butylphenyl)-2-carbazol-9-id-1-ylbenzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+)?

9-[1-(3-tert-butylphenyl)-2-carbazol-9-id-1-ylbenzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+) has a molecular weight of 1008.96 g/mol, XLogP of 14.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[1-(3-tert-butylphenyl)-2-carbazol-9-id-1-ylbenzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-8H-[1]benzofuro[2,3-b]carbazol-8-ide;platinum(2+) is sourced from PubChem (CID 176642475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).