(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine

C26H27I2N3Pt — CID 87351700

IUPAC(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine
SMILESCc1ccc(CN(I)I)cc1C.Cn1c(-c2ccccc2)c(-c2ccccc2)n(C)c1=[Pt]
InChIInChI=1S/C17H16N2.C9H11I2N.Pt/c1-18-13-19(2)17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14;1-7-3-4-9(5-8(7)2)6-12(10)11;/h3-12H,1-2H3;3-5H,6H2,1-2H3;
InChIKeyVWCADTYLUOIJKY-UHFFFAOYSA-N
MW830.41 g/mol
LogP7.58
Rot. Bonds4

About (1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine

(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine (PubChem CID 87351700) has the molecular formula C26H27I2N3Pt and a molecular weight of 830.41 g/mol. Its IUPAC name is (1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine.

Molecular Properties

Compound Name(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine
PubChem CID87351700
Molecular FormulaC26H27I2N3Pt
Molecular Weight830.41 g/mol
Exact Mass829.99
IUPAC Name(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine
SMILESCc1ccc(CN(I)I)cc1C.Cn1c(-c2ccccc2)c(-c2ccccc2)n(C)c1=[Pt]
InChIInChI=1S/C17H16N2.C9H11I2N.Pt/c1-18-13-19(2)17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14;1-7-3-4-9(5-8(7)2)6-12(10)11;/h3-12H,1-2H3;3-5H,6H2,1-2H3;
InChIKeyVWCADTYLUOIJKY-UHFFFAOYSA-N
XLogP7.58
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.41
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine?
The IUPAC name of (1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine (CID 87351700) is (1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine.
What is the SMILES notation for (1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine?
The canonical SMILES for (1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine is Cc1ccc(CN(I)I)cc1C.Cn1c(-c2ccccc2)c(-c2ccccc2)n(C)c1=[Pt].
What is the InChIKey of (1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine?
The InChIKey is VWCADTYLUOIJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2.C9H11I2N.Pt/c1-18-13-19(2)17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14;1-7-3-4-9(5-8(7)2)6-12(10)11;/h3-12H,1-2H3;3-5H,6H2,1-2H3;.
What are the key properties of (1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine?
(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine has a molecular weight of 830.41 g/mol, XLogP of 7.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine is sourced from PubChem (CID 87351700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).