2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)

C58H38F3N5Pt — CID 176642737

IUPAC2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)
SMILESCc1cc(C)c(-c2ccc3[n-]c4c(-c5nc6c(-c7[c-]c8c(cc7)c7ccc(C(F)(F)F)cc7n8-c7ccccn7)cccc6n5-c5ccccc5)cc(-c5ccccc5)cc4c3c2)c(C)c1.[Pt+2]
InChIInChI=1S/C58H38F3N5.Pt/c1-34-27-35(2)54(36(3)28-34)39-21-25-49-46(29-39)47-30-40(37-13-6-4-7-14-37)31-48(55(47)63-49)57-64-56-43(17-12-18-50(56)65(57)42-15-8-5-9-16-42)38-20-23-44-45-24-22-41(58(59,60)61)33-52(45)66(51(44)32-38)53-19-10-11-26-62-53;/h4-31,33H,1-3H3;/q-2;+2
InChIKeyUZZZFMLHHRVBGN-UHFFFAOYSA-N
MW1057.05 g/mol
LogP15.19
Rot. Bonds6

About 2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)

2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176642737) has the molecular formula C58H38F3N5Pt and a molecular weight of 1057.05 g/mol. Its IUPAC name is 2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)
PubChem CID176642737
Molecular FormulaC58H38F3N5Pt
Molecular Weight1057.05 g/mol
Exact Mass1056.27
IUPAC Name2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)
SMILESCc1cc(C)c(-c2ccc3[n-]c4c(-c5nc6c(-c7[c-]c8c(cc7)c7ccc(C(F)(F)F)cc7n8-c7ccccn7)cccc6n5-c5ccccc5)cc(-c5ccccc5)cc4c3c2)c(C)c1.[Pt+2]
InChIInChI=1S/C58H38F3N5.Pt/c1-34-27-35(2)54(36(3)28-34)39-21-25-49-46(29-39)47-30-40(37-13-6-4-7-14-37)31-48(55(47)63-49)57-64-56-43(17-12-18-50(56)65(57)42-15-8-5-9-16-42)38-20-23-44-45-24-22-41(58(59,60)61)33-52(45)66(51(44)32-38)53-19-10-11-26-62-53;/h4-31,33H,1-3H3;/q-2;+2
InChIKeyUZZZFMLHHRVBGN-UHFFFAOYSA-N
XLogP15.19
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.05
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+) with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+) (CID 176642737) is 2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+) is Cc1cc(C)c(-c2ccc3[n-]c4c(-c5nc6c(-c7[c-]c8c(cc7)c7ccc(C(F)(F)F)cc7n8-c7ccccn7)cccc6n5-c5ccccc5)cc(-c5ccccc5)cc4c3c2)c(C)c1.[Pt+2].
What is the InChIKey of 2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is UZZZFMLHHRVBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38F3N5.Pt/c1-34-27-35(2)54(36(3)28-34)39-21-25-49-46(29-39)47-30-40(37-13-6-4-7-14-37)31-48(55(47)63-49)57-64-56-43(17-12-18-50(56)65(57)42-15-8-5-9-16-42)38-20-23-44-45-24-22-41(58(59,60)61)33-52(45)66(51(44)32-38)53-19-10-11-26-62-53;/h4-31,33H,1-3H3;/q-2;+2.
What are the key properties of 2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)?
2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1057.05 g/mol, XLogP of 15.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenyl-2-[3-phenyl-6-(2,4,6-trimethylphenyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176642737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).