2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C70H62F5N4OPt-3 — CID 172531410

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

2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172531410) has the molecular formula C70H62F5N4OPt-3 and a molecular weight of 1265.36 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172531410
• Molecular Formula: C70H62F5N4OPt-3
• Molecular Weight: 1265.36 g/mol
• Exact Mass: 1264.45
• IUPAC Name: 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(C)cc(-c2cc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)[c-]c(N3[CH-]N(c4c(-c5cc(C(C)C)cc(C(C)C)c5)cc(C(C)(C)C)cc4-c4c(F)c(F)c(F)c(F)c4F)c4ccccc43)c2)c1.[Pt]
• InChI: InChI=1S/C70H62F5N4O.Pt/c1-39(2)43-28-44(40(3)4)30-47(29-43)55-33-49(70(10,11)12)34-56(62-63(71)65(73)67(75)66(74)64(62)72)68(55)78-38-77(58-19-15-16-20-59(58)78)50-31-46(45-26-41(5)25-42(6)27-45)32-52(36-50)80-51-21-22-54-53-17-13-14-18-57(53)79(60(54)37-51)61-35-48(23-24-76-61)69(7,8)9;/h13-35,38-40H,1-12H3;/q-3
• InChIKey: OHVLEDDRGBGTSD-UHFFFAOYSA-N
• XLogP: 20.13
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1265.36
LogP ≤ 5	20.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172531410) is 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethylphenyl)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-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is Cc1cc(C)cc(-c2cc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)[c-]c(N3[CH-]N(c4c(-c5cc(C(C)C)cc(C(C)C)c5)cc(C(C)(C)C)cc4-c4c(F)c(F)c(F)c(F)c4F)c4ccccc43)c2)c1.[Pt].

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

The InChIKey is OHVLEDDRGBGTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H62F5N4O.Pt/c1-39(2)43-28-44(40(3)4)30-47(29-43)55-33-49(70(10,11)12)34-56(62-63(71)65(73)67(75)66(74)64(62)72)68(55)78-38-77(58-19-15-16-20-59(58)78)50-31-46(45-26-41(5)25-42(6)27-45)32-52(36-50)80-51-21-22-54-53-17-13-14-18-57(53)79(60(54)37-51)61-35-48(23-24-76-61)69(7,8)9;/h13-35,38-40H,1-12H3;/q-3;.

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

2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1265.36 g/mol, XLogP of 20.13, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(3,5-dimethylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172531410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).