3-cyclohepta-1,3,5-trien-1-yl-1-methyl-2,6-dihydrocyclohepta[d]imidazol-2-ide;bis(1,3-dihydropyrazol-3-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;platinum

C36H34N8Pt2-6 — CID 172514229

IUPAC3-cyclohepta-1,3,5-trien-1-yl-1-methyl-2,6-dihydrocyclohepta[d]imidazol-2-ide;bis(1,3-dihydropyrazol-3-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;platinum
SMILESCN1[CH-]N(C2=CC=CC=[C-]C2)C2=C1C=CCC=C2.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Pt].[Pt].[c-]1cc[nH]n1.[c-]1cc[nH]n1
InChIInChI=1S/C16H16N2.C14H12N2.2C3H3N2.2Pt/c1-17-13-18(14-9-5-2-3-6-10-14)16-12-8-4-7-11-15(16)17;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;2*1-2-4-5-3-1;;/h2-3,5,7-9,11-13H,4,10H2,1H3;2-7,9-11H,1H3;2*1-2H,(H,4,5);;/q2*-2;2*-1;;
InChIKeyVNOZNHYPSJLYQH-UHFFFAOYSA-N
MW968.88 g/mol
LogP6.89
Rot. Bonds2

About 3-cyclohepta-1,3,5-trien-1-yl-1-methyl-2,6-dihydrocyclohepta[d]imidazol-2-ide;bis(1,3-dihydropyrazol-3-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;platinum

3-cyclohepta-1,3,5-trien-1-yl-1-methyl-2,6-dihydrocyclohepta[d]imidazol-2-ide;bis(1,3-dihydropyrazol-3-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;platinum (PubChem CID 172514229) has the molecular formula C36H34N8Pt2-6 and a molecular weight of 968.88 g/mol. Its IUPAC name is 3-cyclohepta-1,3,5-trien-1-yl-1-methyl-2,6-dihydrocyclohepta[d]imidazol-2-ide;bis(1,3-dihydropyrazol-3-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;platinum.

Molecular Properties

Compound Name3-cyclohepta-1,3,5-trien-1-yl-1-methyl-2,6-dihydrocyclohepta[d]imidazol-2-ide;bis(1,3-dihydropyrazol-3-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;platinum
PubChem CID172514229
Molecular FormulaC36H34N8Pt2-6
Molecular Weight968.88 g/mol
Exact Mass968.22
IUPAC Name3-cyclohepta-1,3,5-trien-1-yl-1-methyl-2,6-dihydrocyclohepta[d]imidazol-2-ide;bis(1,3-dihydropyrazol-3-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;platinum
SMILESCN1[CH-]N(C2=CC=CC=[C-]C2)C2=C1C=CCC=C2.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Pt].[Pt].[c-]1cc[nH]n1.[c-]1cc[nH]n1
InChIInChI=1S/C16H16N2.C14H12N2.2C3H3N2.2Pt/c1-17-13-18(14-9-5-2-3-6-10-14)16-12-8-4-7-11-15(16)17;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;2*1-2-4-5-3-1;;/h2-3,5,7-9,11-13H,4,10H2,1H3;2-7,9-11H,1H3;2*1-2H,(H,4,5);;/q2*-2;2*-1;;
InChIKeyVNOZNHYPSJLYQH-UHFFFAOYSA-N
XLogP6.89
TPSA70.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.88
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-cyclohepta-1,3,5-trien-1-yl-1-methyl-2,6-dihydrocyclohepta[d]imidazol-2-ide;bis(1,3-dihydropyrazol-3-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;platinum?
The IUPAC name of 3-cyclohepta-1,3,5-trien-1-yl-1-methyl-2,6-dihydrocyclohepta[d]imidazol-2-ide;bis(1,3-dihydropyrazol-3-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;platinum (CID 172514229) is 3-cyclohepta-1,3,5-trien-1-yl-1-methyl-2,6-dihydrocyclohepta[d]imidazol-2-ide;bis(1,3-dihydropyrazol-3-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;platinum.
What is the SMILES notation for 3-cyclohepta-1,3,5-trien-1-yl-1-methyl-2,6-dihydrocyclohepta[d]imidazol-2-ide;bis(1,3-dihydropyrazol-3-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;platinum?
The canonical SMILES for 3-cyclohepta-1,3,5-trien-1-yl-1-methyl-2,6-dihydrocyclohepta[d]imidazol-2-ide;bis(1,3-dihydropyrazol-3-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;platinum is CN1[CH-]N(C2=CC=CC=[C-]C2)C2=C1C=CCC=C2.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Pt].[Pt].[c-]1cc[nH]n1.[c-]1cc[nH]n1.
What is the InChIKey of 3-cyclohepta-1,3,5-trien-1-yl-1-methyl-2,6-dihydrocyclohepta[d]imidazol-2-ide;bis(1,3-dihydropyrazol-3-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;platinum?
The InChIKey is VNOZNHYPSJLYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2.C14H12N2.2C3H3N2.2Pt/c1-17-13-18(14-9-5-2-3-6-10-14)16-12-8-4-7-11-15(16)17;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;2*1-2-4-5-3-1;;/h2-3,5,7-9,11-13H,4,10H2,1H3;2-7,9-11H,1H3;2*1-2H,(H,4,5);;/q2*-2;2*-1;;.
What are the key properties of 3-cyclohepta-1,3,5-trien-1-yl-1-methyl-2,6-dihydrocyclohepta[d]imidazol-2-ide;bis(1,3-dihydropyrazol-3-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;platinum?
3-cyclohepta-1,3,5-trien-1-yl-1-methyl-2,6-dihydrocyclohepta[d]imidazol-2-ide;bis(1,3-dihydropyrazol-3-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;platinum has a molecular weight of 968.88 g/mol, XLogP of 6.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohepta-1,3,5-trien-1-yl-1-methyl-2,6-dihydrocyclohepta[d]imidazol-2-ide;bis(1,3-dihydropyrazol-3-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;platinum is sourced from PubChem (CID 172514229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).