bis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+)

C24H22N4Pt — CID 58401857

IUPACbis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+)
SMILESCn1cnc2c1CCc1ccc[c-]c1-2.Cn1cnc2c1CCc1ccc[c-]c1-2.[Pt+2]
InChIInChI=1S/2C12H11N2.Pt/c2*1-14-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14;/h2*2-4,8H,6-7H2,1H3;/q2*-1;+2
InChIKeyUPZOFYSFCCJLLB-UHFFFAOYSA-N
MW561.55 g/mol
LogP3.97
Rot. Bonds

About bis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+)

bis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+) (PubChem CID 58401857) has the molecular formula C24H22N4Pt and a molecular weight of 561.55 g/mol. Its IUPAC name is bis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+).

Molecular Properties

Compound Namebis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+)
PubChem CID58401857
Molecular FormulaC24H22N4Pt
Molecular Weight561.55 g/mol
Exact Mass561.15
IUPAC Namebis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+)
SMILESCn1cnc2c1CCc1ccc[c-]c1-2.Cn1cnc2c1CCc1ccc[c-]c1-2.[Pt+2]
InChIInChI=1S/2C12H11N2.Pt/c2*1-14-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14;/h2*2-4,8H,6-7H2,1H3;/q2*-1;+2
InChIKeyUPZOFYSFCCJLLB-UHFFFAOYSA-N
XLogP3.97
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.55
LogP ≤ 53.97
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

Bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)
CID 59661443
iridium(3+);tris(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide)
CID 58401347
Bis(1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole);platinum(2+)
CID 58401570
Tris(1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole);iridium(3+)
CID 58401703
bis(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);platinum(2+)
CID 58401802
Bis(1,5-dimethyl-4-phenylimidazole);platinum(2+)
CID 58401905
Bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)
CID 59661369
1,5-Dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+)
CID 59661517

Frequently Asked Questions

What is the IUPAC name of bis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+)?
The IUPAC name of bis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+) (CID 58401857) is bis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+).
What is the SMILES notation for bis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+)?
The canonical SMILES for bis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+) is Cn1cnc2c1CCc1ccc[c-]c1-2.Cn1cnc2c1CCc1ccc[c-]c1-2.[Pt+2].
What is the InChIKey of bis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+)?
The InChIKey is UPZOFYSFCCJLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11N2.Pt/c2*1-14-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14;/h2*2-4,8H,6-7H2,1H3;/q2*-1;+2.
What are the key properties of bis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+)?
bis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+) has a molecular weight of 561.55 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methyl-5,9-dihydro-4H-benzo[e]benzimidazol-9-ide);platinum(2+) is sourced from PubChem (CID 58401857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).