bis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+)

C32H26N4Pt — CID 58401467

IUPACbis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+)
SMILESCn1cnc(-c2[c-]cccc2)c1-c1ccccc1.Cn1cnc(-c2[c-]cccc2)c1-c1ccccc1.[Pt+2]
InChIInChI=1S/2C16H13N2.Pt/c2*1-18-12-17-15(13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14;/h2*2-8,10-12H,1H3;/q2*-1;+2
InChIKeyKEKHKDCNJOCMMF-UHFFFAOYSA-N
MW661.67 g/mol
LogP7.11
Rot. Bonds4

About bis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+)

bis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+) (PubChem CID 58401467) has the molecular formula C32H26N4Pt and a molecular weight of 661.67 g/mol. Its IUPAC name is bis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+).

Molecular Properties

Compound Namebis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+)
PubChem CID58401467
Molecular FormulaC32H26N4Pt
Molecular Weight661.67 g/mol
Exact Mass661.18
IUPAC Namebis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+)
SMILESCn1cnc(-c2[c-]cccc2)c1-c1ccccc1.Cn1cnc(-c2[c-]cccc2)c1-c1ccccc1.[Pt+2]
InChIInChI=1S/2C16H13N2.Pt/c2*1-18-12-17-15(13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14;/h2*2-8,10-12H,1H3;/q2*-1;+2
InChIKeyKEKHKDCNJOCMMF-UHFFFAOYSA-N
XLogP7.11
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.67
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-2-(1-methyl-4,5-diphenylimidazol-2-yl)-4,5-diphenylimidazole
CID 44623032
4,5-Diphenyl-1-[6-(4,5-diphenyl-1h-1-imidazolyl)hexyl]-1h-imidazole
CID 129796399
Tetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate
CID 139196607
1-[[3-[(4,5-Diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794353
iridium;1-methyl-4-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenylimidazole
CID 57573283
methyl-(2-methylazanidylphenyl)azanide;9-methyl-3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)-2H-carbazol-2-ide;platinum
CID 57683746
4-(2-Methylphenyl)-8,13,17-triphenyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;palladium(2+)
CID 57759446
Copper 4,6,8,13,15,17-hexakis-phenyl-4,8,13,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene
CID 57759535
CID 57759614
CID 57759614
CID 57759697
CID 57759697
4,6,8,13,15,17-Hexakis-phenyl-4,8,13,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;platinum(2+)
CID 57759752
CID 57759793
CID 57759793

Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+)?
The IUPAC name of bis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+) (CID 58401467) is bis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+).
What is the SMILES notation for bis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+)?
The canonical SMILES for bis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+) is Cn1cnc(-c2[c-]cccc2)c1-c1ccccc1.Cn1cnc(-c2[c-]cccc2)c1-c1ccccc1.[Pt+2].
What is the InChIKey of bis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+)?
The InChIKey is KEKHKDCNJOCMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13N2.Pt/c2*1-18-12-17-15(13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14;/h2*2-8,10-12H,1H3;/q2*-1;+2.
What are the key properties of bis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+)?
bis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+) has a molecular weight of 661.67 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+) is sourced from PubChem (CID 58401467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).