bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);2-phenylimidazol-3-ide;4-phenylimidazol-3-ide;bis(3-phenylpyrazol-2-ide);platinum

C100H76N16Pt4-12 — CID 157377657

IUPACbis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);2-phenylimidazol-3-ide;4-phenylimidazol-3-ide;bis(3-phenylpyrazol-2-ide);platinum
SMILESCc1cc(C)n(-c2[c-]ccc(-c3ccccc3)c2)n1.Cc1cc(C)n(-c2[c-]ccc(-c3ccccc3)c2)n1.[Pt].[Pt].[Pt].[Pt].[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccccc1-c1ccn[n-]1.[c-]1ccccc1-c1ccn[n-]1.[c-]1ccccc1-c1cnc[n-]1.[c-]1ccccc1-c1ncc[n-]1
InChIInChI=1S/2C17H15N2.2C15H11N2.4C9H6N2.4Pt/c2*1-13-11-14(2)19(18-13)17-10-6-9-16(12-17)15-7-4-3-5-8-15;2*1-2-6-13(7-3-1)14-8-4-9-15(12-14)17-11-5-10-16-17;1-2-4-8(5-3-1)9-6-10-7-11-9;1-2-4-8(5-3-1)9-10-6-7-11-9;2*1-2-4-8(5-3-1)9-6-7-10-11-9;;;;/h2*3-9,11-12H,1-2H3;2*1-8,10-12H;4*1-4,6-7H;;;;/q4*-1;4*-2;;;;
InChIKeyDZUMAORWZXBZFM-UHFFFAOYSA-N
MW2282.13 g/mol
LogP20.61
Rot. Bonds12

About bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);2-phenylimidazol-3-ide;4-phenylimidazol-3-ide;bis(3-phenylpyrazol-2-ide);platinum

bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);2-phenylimidazol-3-ide;4-phenylimidazol-3-ide;bis(3-phenylpyrazol-2-ide);platinum (PubChem CID 157377657) has the molecular formula C100H76N16Pt4-12 and a molecular weight of 2282.13 g/mol. Its IUPAC name is bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);2-phenylimidazol-3-ide;4-phenylimidazol-3-ide;bis(3-phenylpyrazol-2-ide);platinum.

Molecular Properties

Compound Namebis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);2-phenylimidazol-3-ide;4-phenylimidazol-3-ide;bis(3-phenylpyrazol-2-ide);platinum
PubChem CID157377657
Molecular FormulaC100H76N16Pt4-12
Molecular Weight2282.13 g/mol
Exact Mass2280.51
IUPAC Namebis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);2-phenylimidazol-3-ide;4-phenylimidazol-3-ide;bis(3-phenylpyrazol-2-ide);platinum
SMILESCc1cc(C)n(-c2[c-]ccc(-c3ccccc3)c2)n1.Cc1cc(C)n(-c2[c-]ccc(-c3ccccc3)c2)n1.[Pt].[Pt].[Pt].[Pt].[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccccc1-c1ccn[n-]1.[c-]1ccccc1-c1ccn[n-]1.[c-]1ccccc1-c1cnc[n-]1.[c-]1ccccc1-c1ncc[n-]1
InChIInChI=1S/2C17H15N2.2C15H11N2.4C9H6N2.4Pt/c2*1-13-11-14(2)19(18-13)17-10-6-9-16(12-17)15-7-4-3-5-8-15;2*1-2-6-13(7-3-1)14-8-4-9-15(12-14)17-11-5-10-16-17;1-2-4-8(5-3-1)9-6-10-7-11-9;1-2-4-8(5-3-1)9-10-6-7-11-9;2*1-2-4-8(5-3-1)9-6-7-10-11-9;;;;/h2*3-9,11-12H,1-2H3;2*1-8,10-12H;4*1-4,6-7H;;;;/q4*-1;4*-2;;;;
InChIKeyDZUMAORWZXBZFM-UHFFFAOYSA-N
XLogP20.61
TPSA179.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002282.13
LogP ≤ 520.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

4-(3-Tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-methylimidazol-3-ide;4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide;[2-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;bis(platinum(2+))
CID 57724184
4-(3-Tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-methylimidazol-3-ide;4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+))
CID 57724209
Bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);[2-diphenylphosphorylethyl(phenyl)phosphoryl]benzene;bis(platinum(2+))
CID 58725728
Bis(4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(platinum(2+))
CID 58725729
3,5-Dimethyl-1-phenylpyrazole;3,5-dimethyl-2-phenylpyrazol-2-ium-1-ide;iridium;2-[5-[4-(trifluoromethyl)phenyl]-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58855106
Iridium;1-phenylpyrazole;2-phenylpyrazol-2-ium-1-ide;2-[5-[4-(trifluoromethyl)phenyl]-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58855107
Bis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);iridium(3+);5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide
CID 58898662
Bis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;iridium(3+)
CID 58898682
Bis(3-(4-fluorobenzene-6-id-1-yl)-1-methyl-5-(trifluoromethyl)pyrazole);iridium(3+);5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide
CID 58898684
Bis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);iridium(3+);5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide
CID 58898702
Bis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);iridium(3+);3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene
CID 58898704
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N,N-bis[(1-methyl-5-phenylimidazol-2-yl)methyl]ethanamine
CID 86287839

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);2-phenylimidazol-3-ide;4-phenylimidazol-3-ide;bis(3-phenylpyrazol-2-ide);platinum?
The IUPAC name of bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);2-phenylimidazol-3-ide;4-phenylimidazol-3-ide;bis(3-phenylpyrazol-2-ide);platinum (CID 157377657) is bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);2-phenylimidazol-3-ide;4-phenylimidazol-3-ide;bis(3-phenylpyrazol-2-ide);platinum.
What is the SMILES notation for bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);2-phenylimidazol-3-ide;4-phenylimidazol-3-ide;bis(3-phenylpyrazol-2-ide);platinum?
The canonical SMILES for bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);2-phenylimidazol-3-ide;4-phenylimidazol-3-ide;bis(3-phenylpyrazol-2-ide);platinum is Cc1cc(C)n(-c2[c-]ccc(-c3ccccc3)c2)n1.Cc1cc(C)n(-c2[c-]ccc(-c3ccccc3)c2)n1.[Pt].[Pt].[Pt].[Pt].[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccc(-c2ccccc2)cc1-n1cccn1.[c-]1ccccc1-c1ccn[n-]1.[c-]1ccccc1-c1ccn[n-]1.[c-]1ccccc1-c1cnc[n-]1.[c-]1ccccc1-c1ncc[n-]1.
What is the InChIKey of bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);2-phenylimidazol-3-ide;4-phenylimidazol-3-ide;bis(3-phenylpyrazol-2-ide);platinum?
The InChIKey is DZUMAORWZXBZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H15N2.2C15H11N2.4C9H6N2.4Pt/c2*1-13-11-14(2)19(18-13)17-10-6-9-16(12-17)15-7-4-3-5-8-15;2*1-2-6-13(7-3-1)14-8-4-9-15(12-14)17-11-5-10-16-17;1-2-4-8(5-3-1)9-6-10-7-11-9;1-2-4-8(5-3-1)9-10-6-7-11-9;2*1-2-4-8(5-3-1)9-6-7-10-11-9;;;;/h2*3-9,11-12H,1-2H3;2*1-8,10-12H;4*1-4,6-7H;;;;/q4*-1;4*-2;;;;.
What are the key properties of bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);2-phenylimidazol-3-ide;4-phenylimidazol-3-ide;bis(3-phenylpyrazol-2-ide);platinum?
bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);2-phenylimidazol-3-ide;4-phenylimidazol-3-ide;bis(3-phenylpyrazol-2-ide);platinum has a molecular weight of 2282.13 g/mol, XLogP of 20.61, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);2-phenylimidazol-3-ide;4-phenylimidazol-3-ide;bis(3-phenylpyrazol-2-ide);platinum is sourced from PubChem (CID 157377657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).