(1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine

C15H16F3I2N3Pt — CID 87351570

IUPAC(1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCn1ccn(C2CC2)c1=[Pt].FC(F)(F)c1ccc(CN(I)I)cc1
InChIInChI=1S/C8H6F3I2N.C7H10N2.Pt/c9-8(10,11)7-3-1-6(2-4-7)5-14(12)13;1-8-4-5-9(6-8)7-2-3-7;/h1-4H,5H2;4-5,7H,2-3H2,1H3;
InChIKeyCLWPWRNUWWMRGB-UHFFFAOYSA-N
MW744.19 g/mol
LogP5.45
Rot. Bonds3

About (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine

(1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 87351570) has the molecular formula C15H16F3I2N3Pt and a molecular weight of 744.19 g/mol. Its IUPAC name is (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID87351570
Molecular FormulaC15H16F3I2N3Pt
Molecular Weight744.19 g/mol
Exact Mass743.90
IUPAC Name(1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCn1ccn(C2CC2)c1=[Pt].FC(F)(F)c1ccc(CN(I)I)cc1
InChIInChI=1S/C8H6F3I2N.C7H10N2.Pt/c9-8(10,11)7-3-1-6(2-4-7)5-14(12)13;1-8-4-5-9(6-8)7-2-3-7;/h1-4H,5H2;4-5,7H,2-3H2,1H3;
InChIKeyCLWPWRNUWWMRGB-UHFFFAOYSA-N
XLogP5.45
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.19
LogP ≤ 55.45
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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Related Compounds

N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum
CID 87352335
(1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine
CID 87352500
N,N-dichlorocyclohexanamine;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum
CID 87351985
N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine;(1,3,7,9-tetramethyl-2,6-dioxopurin-8-ylidene)platinum
CID 87352178
N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 2173507
N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum
CID 87352489
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 43607110
1-[4-(trifluoromethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine
CID 100995079
N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 134004426
ethenyl-[ethenyl(dimethyl)silyl]oxy-dimethylsilane;[1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum
CID 87352049
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61232377
N,N,N',N'-tetrakis[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 139171038

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine (CID 87351570) is (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine is Cn1ccn(C2CC2)c1=[Pt].FC(F)(F)c1ccc(CN(I)I)cc1.
What is the InChIKey of (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is CLWPWRNUWWMRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3I2N.C7H10N2.Pt/c9-8(10,11)7-3-1-6(2-4-7)5-14(12)13;1-8-4-5-9(6-8)7-2-3-7;/h1-4H,5H2;4-5,7H,2-3H2,1H3;.
What are the key properties of (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine?
(1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 744.19 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodo-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 87351570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).