bis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+)

C40H38N4Pt — CID 58401500

IUPACbis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+)
SMILESCc1c(-c2[c-]ccc3c2C(C)(C)c2ccccc2-3)ncn1C.Cc1c(-c2[c-]ccc3c2C(C)(C)c2ccccc2-3)ncn1C.[Pt+2]
InChIInChI=1S/2C20H19N2.Pt/c2*1-13-19(21-12-22(13)4)16-10-7-9-15-14-8-5-6-11-17(14)20(2,3)18(15)16;/h2*5-9,11-12H,1-4H3;/q2*-1;+2
InChIKeyXCVQOMFEDQBGTQ-UHFFFAOYSA-N
MW769.85 g/mol
LogP9.00
Rot. Bonds2

About bis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+)

bis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+) (PubChem CID 58401500) has the molecular formula C40H38N4Pt and a molecular weight of 769.85 g/mol. Its IUPAC name is bis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+).

Molecular Properties

Compound Namebis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+)
PubChem CID58401500
Molecular FormulaC40H38N4Pt
Molecular Weight769.85 g/mol
Exact Mass769.27
IUPAC Namebis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+)
SMILESCc1c(-c2[c-]ccc3c2C(C)(C)c2ccccc2-3)ncn1C.Cc1c(-c2[c-]ccc3c2C(C)(C)c2ccccc2-3)ncn1C.[Pt+2]
InChIInChI=1S/2C20H19N2.Pt/c2*1-13-19(21-12-22(13)4)16-10-7-9-15-14-8-5-6-11-17(14)20(2,3)18(15)16;/h2*5-9,11-12H,1-4H3;/q2*-1;+2
InChIKeyXCVQOMFEDQBGTQ-UHFFFAOYSA-N
XLogP9.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.85
LogP ≤ 59.00
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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Frequently Asked Questions

What is the IUPAC name of bis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+)?
The IUPAC name of bis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+) (CID 58401500) is bis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+).
What is the SMILES notation for bis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+)?
The canonical SMILES for bis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+) is Cc1c(-c2[c-]ccc3c2C(C)(C)c2ccccc2-3)ncn1C.Cc1c(-c2[c-]ccc3c2C(C)(C)c2ccccc2-3)ncn1C.[Pt+2].
What is the InChIKey of bis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+)?
The InChIKey is XCVQOMFEDQBGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H19N2.Pt/c2*1-13-19(21-12-22(13)4)16-10-7-9-15-14-8-5-6-11-17(14)20(2,3)18(15)16;/h2*5-9,11-12H,1-4H3;/q2*-1;+2.
What are the key properties of bis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+)?
bis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+) has a molecular weight of 769.85 g/mol, XLogP of 9.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+) is sourced from PubChem (CID 58401500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).