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

C62H49F2N4OPt-3 — CID 172530343

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

2-[3-[3-[2,6-bis(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-diethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172530343) has the molecular formula C62H49F2N4OPt-3 and a molecular weight of 1099.17 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-diethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-diethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172530343
• Molecular Formula: C62H49F2N4OPt-3
• Molecular Weight: 1099.17 g/mol
• Exact Mass: 1098.35
• IUPAC Name: 2-[3-[3-[2,6-bis(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-diethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CCc1cccc(CC)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4ccc(F)cc4)cccc3-c3ccc(F)cc3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C62H49F2N4O.Pt/c1-6-40-14-12-15-41(7-2)60(40)44-34-48(37-50(35-44)69-49-30-31-54-53-16-8-9-19-55(53)68(58(54)38-49)59-36-45(32-33-65-59)62(3,4)5)66-39-67(57-21-11-10-20-56(57)66)61-51(42-22-26-46(63)27-23-42)17-13-18-52(61)43-24-28-47(64)29-25-43;/h8-36,39H,6-7H2,1-5H3;/q-3
• InChIKey: JJURFKYTWGAVJV-UHFFFAOYSA-N
• XLogP: 16.68
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1099.17
LogP ≤ 5	16.68
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-[3-[2,6-bis(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-diethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-diethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172530343) is 2-[3-[3-[2,6-bis(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-diethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[2,6-bis(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-diethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CCc1cccc(CC)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4ccc(F)cc4)cccc3-c3ccc(F)cc3)c3ccccc32)c1.[Pt].

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

The InChIKey is JJURFKYTWGAVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49F2N4O.Pt/c1-6-40-14-12-15-41(7-2)60(40)44-34-48(37-50(35-44)69-49-30-31-54-53-16-8-9-19-55(53)68(58(54)38-49)59-36-45(32-33-65-59)62(3,4)5)66-39-67(57-21-11-10-20-56(57)66)61-51(42-22-26-46(63)27-23-42)17-13-18-52(61)43-24-28-47(64)29-25-43;/h8-36,39H,6-7H2,1-5H3;/q-3;.

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

2-[3-[3-[2,6-bis(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-diethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1099.17 g/mol, XLogP of 16.68, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-diethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172530343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).