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

C69H62F3N4OPt-3 — CID 172531431

About 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)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-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172531431) has the molecular formula C69H62F3N4OPt-3 and a molecular weight of 1215.35 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)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-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172531431
• Molecular Formula: C69H62F3N4OPt-3
• Molecular Weight: 1215.35 g/mol
• Exact Mass: 1214.45
• IUPAC Name: 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: Cc1ccccc1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4cc(C(C)C)cc(C(C)C)c4)cc(C(C)(C)C)cc3-c3c(F)cc(F)cc3F)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C69H62F3N4O.Pt/c1-41(2)44-28-45(42(3)4)30-46(29-44)57-33-49(69(9,10)11)34-58(66-59(71)36-50(70)37-60(66)72)67(57)75-40-74(62-22-16-17-23-63(62)75)51-31-47(54-19-13-12-18-43(54)5)32-53(38-51)77-52-24-25-56-55-20-14-15-21-61(55)76(64(56)39-52)65-35-48(26-27-73-65)68(6,7)8;/h12-37,40-42H,1-11H3;/q-3
• InChIKey: IWAYPSAGZFXTNF-UHFFFAOYSA-N
• XLogP: 19.55
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1215.35
LogP ≤ 5	19.55
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-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)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-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172531431) is 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)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-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)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-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is Cc1ccccc1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4cc(C(C)C)cc(C(C)C)c4)cc(C(C)(C)C)cc3-c3c(F)cc(F)cc3F)c3ccccc32)c1.[Pt].

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

The InChIKey is IWAYPSAGZFXTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H62F3N4O.Pt/c1-41(2)44-28-45(42(3)4)30-46(29-44)57-33-49(69(9,10)11)34-58(66-59(71)36-50(70)37-60(66)72)67(57)75-40-74(62-22-16-17-23-63(62)75)51-31-47(54-19-13-12-18-43(54)5)32-53(38-51)77-52-24-25-56-55-20-14-15-21-61(55)76(64(56)39-52)65-35-48(26-27-73-65)68(6,7)8;/h12-37,40-42H,1-11H3;/q-3;.

What are the key properties of 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)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-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1215.35 g/mol, XLogP of 19.55, 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-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172531431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).