(1-tert-butyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine

C16H27I2N3Pt — CID 87351893

IUPAC(1-tert-butyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
SMILESCn1ccn(C(C)(C)C)c1=[Pt].IN(I)C12CCC(CC1)CC2
InChIInChI=1S/C8H13I2N.C8H14N2.Pt/c9-11(10)8-4-1-7(2-5-8)3-6-8;1-8(2,3)10-6-5-9(4)7-10;/h7H,1-6H2;5-6H,1-4H3;
InChIKeyZBUPJPQSQXABPW-UHFFFAOYSA-N
MW710.30 g/mol
LogP5.37
Rot. Bonds1

About (1-tert-butyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine

(1-tert-butyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine (PubChem CID 87351893) has the molecular formula C16H27I2N3Pt and a molecular weight of 710.30 g/mol. Its IUPAC name is (1-tert-butyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name(1-tert-butyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
PubChem CID87351893
Molecular FormulaC16H27I2N3Pt
Molecular Weight710.30 g/mol
Exact Mass709.99
IUPAC Name(1-tert-butyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
SMILESCn1ccn(C(C)(C)C)c1=[Pt].IN(I)C12CCC(CC1)CC2
InChIInChI=1S/C8H13I2N.C8H14N2.Pt/c9-11(10)8-4-1-7(2-5-8)3-6-8;1-8(2,3)10-6-5-9(4)7-10;/h7H,1-6H2;5-6H,1-4H3;
InChIKeyZBUPJPQSQXABPW-UHFFFAOYSA-N
XLogP5.37
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.30
LogP ≤ 55.37
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-tert-butyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The IUPAC name of (1-tert-butyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine (CID 87351893) is (1-tert-butyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for (1-tert-butyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The canonical SMILES for (1-tert-butyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine is Cn1ccn(C(C)(C)C)c1=[Pt].IN(I)C12CCC(CC1)CC2.
What is the InChIKey of (1-tert-butyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The InChIKey is ZBUPJPQSQXABPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13I2N.C8H14N2.Pt/c9-11(10)8-4-1-7(2-5-8)3-6-8;1-8(2,3)10-6-5-9(4)7-10;/h7H,1-6H2;5-6H,1-4H3;.
What are the key properties of (1-tert-butyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
(1-tert-butyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine has a molecular weight of 710.30 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 87351893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).