(1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine

C18H27I2N3Pt — CID 87352074

IUPAC(1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
SMILESCc1cn(C2CC2)c(=[Pt])n1C1CC1.IN(I)C12CCC(CC1)CC2
InChIInChI=1S/C10H14N2.C8H13I2N.Pt/c1-8-6-11(9-2-3-9)7-12(8)10-4-5-10;9-11(10)8-4-1-7(2-5-8)3-6-8;/h6,9-10H,2-5H2,1H3;7H,1-6H2;
InChIKeyULYJMLVOONQAJY-UHFFFAOYSA-N
MW734.32 g/mol
LogP6.06
Rot. Bonds3

About (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine

(1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine (PubChem CID 87352074) has the molecular formula C18H27I2N3Pt and a molecular weight of 734.32 g/mol. Its IUPAC name is (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name(1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
PubChem CID87352074
Molecular FormulaC18H27I2N3Pt
Molecular Weight734.32 g/mol
Exact Mass733.99
IUPAC Name(1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
SMILESCc1cn(C2CC2)c(=[Pt])n1C1CC1.IN(I)C12CCC(CC1)CC2
InChIInChI=1S/C10H14N2.C8H13I2N.Pt/c1-8-6-11(9-2-3-9)7-12(8)10-4-5-10;9-11(10)8-4-1-7(2-5-8)3-6-8;/h6,9-10H,2-5H2,1H3;7H,1-6H2;
InChIKeyULYJMLVOONQAJY-UHFFFAOYSA-N
XLogP6.06
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.32
LogP ≤ 56.06
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-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The IUPAC name of (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine (CID 87352074) is (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The canonical SMILES for (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine is Cc1cn(C2CC2)c(=[Pt])n1C1CC1.IN(I)C12CCC(CC1)CC2.
What is the InChIKey of (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The InChIKey is ULYJMLVOONQAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C8H13I2N.Pt/c1-8-6-11(9-2-3-9)7-12(8)10-4-5-10;9-11(10)8-4-1-7(2-5-8)3-6-8;/h6,9-10H,2-5H2,1H3;7H,1-6H2;.
What are the key properties of (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
(1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine has a molecular weight of 734.32 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 87352074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).