2-[3-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C66H57F2N4OPt-3 — CID 172534053

About 2-[3-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[3-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 172534053) has the molecular formula C66H57F2N4OPt-3 and a molecular weight of 1155.28 g/mol. Its IUPAC name is 2-[3-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 172534053
• Molecular Formula: C66H57F2N4OPt-3
• Molecular Weight: 1155.28 g/mol
• Exact Mass: 1154.42
• IUPAC Name: 2-[3-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2[CH-]N(c3c(C(C)C)cc(-c4cc(F)cc(F)c4)cc3C(C)C)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C66H57F2N4O.Pt/c1-40(2)56-32-46(44-18-10-9-11-19-44)33-57(41(3)4)65(56)48-30-51(37-53(31-48)73-52-25-26-55-54-20-12-13-21-60(54)72(63(55)38-52)64-24-16-17-27-69-64)70-39-71(62-23-15-14-22-61(62)70)66-58(42(5)6)34-47(35-59(66)43(7)8)45-28-49(67)36-50(68)29-45;/h9-36,39-43H,1-8H3;/q-3
• InChIKey: DPAMFDZGAGTEGB-UHFFFAOYSA-N
• XLogP: 18.75
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.28
LogP ≤ 5	18.75
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-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 172534053) is 2-[3-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2[CH-]N(c3c(C(C)C)cc(-c4cc(F)cc(F)c4)cc3C(C)C)c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is DPAMFDZGAGTEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H57F2N4O.Pt/c1-40(2)56-32-46(44-18-10-9-11-19-44)33-57(41(3)4)65(56)48-30-51(37-53(31-48)73-52-25-26-55-54-20-12-13-21-60(54)72(63(55)38-52)64-24-16-17-27-69-64)70-39-71(62-23-15-14-22-61(62)70)66-58(42(5)6)34-47(35-59(66)43(7)8)45-28-49(67)36-50(68)29-45;/h9-36,39-43H,1-8H3;/q-3;.

What are the key properties of 2-[3-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

2-[3-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1155.28 g/mol, XLogP of 18.75, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172534053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).