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

C58H50F2N5OPt-3 — CID 172533752

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

2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethyl-4-pyridinyl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 172533752) has the molecular formula C58H50F2N5OPt-3 and a molecular weight of 1066.15 g/mol. Its IUPAC name is 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethyl-4-pyridinyl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethyl-4-pyridinyl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 172533752
• Molecular Formula: C58H50F2N5OPt-3
• Molecular Weight: 1066.15 g/mol
• Exact Mass: 1065.36
• IUPAC Name: 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethyl-4-pyridinyl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: Cc1cncc(C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2[CH-]N(c3c(C(C)C)cc(-c4ccc(F)cc4F)cc3C(C)C)c3cc(C(C)C)ccc32)c1.[Pt]
• InChI: InChI=1S/C58H50F2N5O.Pt/c1-34(2)39-16-21-53-55(27-39)64(58-49(35(3)4)25-40(26-50(58)36(5)6)46-19-17-42(59)28-51(46)60)33-63(53)43-23-41(57-37(7)31-61-32-38(57)8)24-45(29-43)66-44-18-20-48-47-13-9-10-14-52(47)65(54(48)30-44)56-15-11-12-22-62-56;/h9-28,31-36H,1-8H3;/q-3
• InChIKey: WZNQTIADFAKVRM-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1066.15
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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

The IUPAC name of 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethyl-4-pyridinyl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 172533752) is 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethyl-4-pyridinyl)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-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethyl-4-pyridinyl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethyl-4-pyridinyl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is Cc1cncc(C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2[CH-]N(c3c(C(C)C)cc(-c4ccc(F)cc4F)cc3C(C)C)c3cc(C(C)C)ccc32)c1.[Pt].

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

The InChIKey is WZNQTIADFAKVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H50F2N5O.Pt/c1-34(2)39-16-21-53-55(27-39)64(58-49(35(3)4)25-40(26-50(58)36(5)6)46-19-17-42(59)28-51(46)60)33-63(53)43-23-41(57-37(7)31-61-32-38(57)8)24-45(29-43)66-44-18-20-48-47-13-9-10-14-52(47)65(54(48)30-44)56-15-11-12-22-62-56;/h9-28,31-36H,1-8H3;/q-3;.

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

2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethyl-4-pyridinyl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1066.15 g/mol, XLogP of 15.97, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethyl-4-pyridinyl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172533752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).