5,6-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum(4+);cyanide

C42H38F3N5Pt — CID 164730542

IUPAC5,6-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum(4+);cyanide
SMILESCc1cc(C)c(N2[CH-]N(c3[c-]c(N4[CH-]N(c5c(C)cc(C)cc5C)c5cc(C)c(C)cc54)cc(C(F)(F)F)c3)c3ccccc32)c(C)c1.[C-]#N.[Pt+4]
InChIInChI=1S/C41H38F3N4.CN.Pt/c1-24-13-28(5)39(29(6)14-24)47-22-45(35-11-9-10-12-36(35)47)33-19-32(41(42,43)44)20-34(21-33)46-23-48(38-18-27(4)26(3)17-37(38)46)40-30(7)15-25(2)16-31(40)8;1-2;/h9-20,22-23H,1-8H3;;/q-3;-1;+4
InChIKeyVEJNDDHHARWAAE-UHFFFAOYSA-N
MW864.87 g/mol
LogP11.89
Rot. Bonds4

About 5,6-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum(4+);cyanide

5,6-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum(4+);cyanide (PubChem CID 164730542) has the molecular formula C42H38F3N5Pt and a molecular weight of 864.87 g/mol. Its IUPAC name is 5,6-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum(4+);cyanide.

Molecular Properties

Compound Name5,6-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum(4+);cyanide
PubChem CID164730542
Molecular FormulaC42H38F3N5Pt
Molecular Weight864.87 g/mol
Exact Mass864.27
IUPAC Name5,6-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum(4+);cyanide
SMILESCc1cc(C)c(N2[CH-]N(c3[c-]c(N4[CH-]N(c5c(C)cc(C)cc5C)c5cc(C)c(C)cc54)cc(C(F)(F)F)c3)c3ccccc32)c(C)c1.[C-]#N.[Pt+4]
InChIInChI=1S/C41H38F3N4.CN.Pt/c1-24-13-28(5)39(29(6)14-24)47-22-45(35-11-9-10-12-36(35)47)33-19-32(41(42,43)44)20-34(21-33)46-23-48(38-18-27(4)26(3)17-37(38)46)40-30(7)15-25(2)16-31(40)8;1-2;/h9-20,22-23H,1-8H3;;/q-3;-1;+4
InChIKeyVEJNDDHHARWAAE-UHFFFAOYSA-N
XLogP11.89
TPSA36.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.87
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum(4+);cyanide?
The IUPAC name of 5,6-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum(4+);cyanide (CID 164730542) is 5,6-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum(4+);cyanide.
What is the SMILES notation for 5,6-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum(4+);cyanide?
The canonical SMILES for 5,6-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum(4+);cyanide is Cc1cc(C)c(N2[CH-]N(c3[c-]c(N4[CH-]N(c5c(C)cc(C)cc5C)c5cc(C)c(C)cc54)cc(C(F)(F)F)c3)c3ccccc32)c(C)c1.[C-]#N.[Pt+4].
What is the InChIKey of 5,6-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum(4+);cyanide?
The InChIKey is VEJNDDHHARWAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38F3N4.CN.Pt/c1-24-13-28(5)39(29(6)14-24)47-22-45(35-11-9-10-12-36(35)47)33-19-32(41(42,43)44)20-34(21-33)46-23-48(38-18-27(4)26(3)17-37(38)46)40-30(7)15-25(2)16-31(40)8;1-2;/h9-20,22-23H,1-8H3;;/q-3;-1;+4.
What are the key properties of 5,6-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum(4+);cyanide?
5,6-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum(4+);cyanide has a molecular weight of 864.87 g/mol, XLogP of 11.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-ide;platinum(4+);cyanide is sourced from PubChem (CID 164730542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).