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

C23H27Br2N3Pt — CID 87351879

IUPACN,N-dibromocyclohexanamine;(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum
SMILESBrN(Br)C1CCCCC1.Cn1c(-c2ccccc2)c(-c2ccccc2)n(C)c1=[Pt]
InChIInChI=1S/C17H16N2.C6H11Br2N.Pt/c1-18-13-19(2)17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14;7-9(8)6-4-2-1-3-5-6;/h3-12H,1-2H3;6H,1-5H2;
InChIKeyLVPARQGOJYMBBV-UHFFFAOYSA-N
MW700.38 g/mol
LogP7.02
Rot. Bonds3

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

N,N-dibromocyclohexanamine;(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum (PubChem CID 87351879) has the molecular formula C23H27Br2N3Pt and a molecular weight of 700.38 g/mol. Its IUPAC name is N,N-dibromocyclohexanamine;(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum.

Molecular Properties

Compound NameN,N-dibromocyclohexanamine;(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum
PubChem CID87351879
Molecular FormulaC23H27Br2N3Pt
Molecular Weight700.38 g/mol
Exact Mass698.02
IUPAC NameN,N-dibromocyclohexanamine;(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum
SMILESBrN(Br)C1CCCCC1.Cn1c(-c2ccccc2)c(-c2ccccc2)n(C)c1=[Pt]
InChIInChI=1S/C17H16N2.C6H11Br2N.Pt/c1-18-13-19(2)17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14;7-9(8)6-4-2-1-3-5-6;/h3-12H,1-2H3;6H,1-5H2;
InChIKeyLVPARQGOJYMBBV-UHFFFAOYSA-N
XLogP7.02
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.38
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum
CID 87351935
(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum;1-(3,4-dimethylphenyl)-N,N-diiodomethanamine
CID 87351700
N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide
CID 66681847
N-cyclohexyl-N-fluoroaniline
CID 139617902
N-benzyl-N-bromocyclohexanamine
CID 140997611
N-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4200447
N-cycloheptyl-N-methyl-3-phenylthiophen-2-amine
CID 67697445
2-methyl-1,3-diphenylisoindole
CID 3710956
1,1'-biphenyl;cycloheptane
CID 174877368
benzene;N,N-dimethylcyclohexanamine
CID 142054055
5,7-dibromo-3-[(1S)-cyclohex-2-en-1-yl]-1-methyl-2-phenylindole
CID 139125384
N-cyclohexyl-N-(5-phenylquinolin-8-yl)acetamide
CID 174858146

Frequently Asked Questions

What is the IUPAC name of N,N-dibromocyclohexanamine;(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum?
The IUPAC name of N,N-dibromocyclohexanamine;(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum (CID 87351879) is N,N-dibromocyclohexanamine;(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum.
What is the SMILES notation for N,N-dibromocyclohexanamine;(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum?
The canonical SMILES for N,N-dibromocyclohexanamine;(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum is BrN(Br)C1CCCCC1.Cn1c(-c2ccccc2)c(-c2ccccc2)n(C)c1=[Pt].
What is the InChIKey of N,N-dibromocyclohexanamine;(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum?
The InChIKey is LVPARQGOJYMBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2.C6H11Br2N.Pt/c1-18-13-19(2)17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14;7-9(8)6-4-2-1-3-5-6;/h3-12H,1-2H3;6H,1-5H2;.
What are the key properties of N,N-dibromocyclohexanamine;(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum?
N,N-dibromocyclohexanamine;(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum has a molecular weight of 700.38 g/mol, XLogP of 7.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibromocyclohexanamine;(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum is sourced from PubChem (CID 87351879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).