dichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole)

C30H46Cl2N8Pt — CID 20669176

IUPACdichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole)
SMILESCc1cnc(C)n1CC[CH-]CCn1c(C)cnc1C.Cc1cnc(C)n1CC[CH-]CCn1c(C)cnc1C.Cl[Pt+2]Cl
InChIInChI=1S/2C15H23N4.2ClH.Pt/c2*1-12-10-16-14(3)18(12)8-6-5-7-9-19-13(2)11-17-15(19)4;;;/h2*5,10-11H,6-9H2,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyWOEPVJUGVPWNPL-UHFFFAOYSA-L
MW784.74 g/mol
LogP7.37
Rot. Bonds12

About dichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole)

dichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole) (PubChem CID 20669176) has the molecular formula C30H46Cl2N8Pt and a molecular weight of 784.74 g/mol. Its IUPAC name is dichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole).

Molecular Properties

Compound Namedichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole)
PubChem CID20669176
Molecular FormulaC30H46Cl2N8Pt
Molecular Weight784.74 g/mol
Exact Mass783.29
IUPAC Namedichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole)
SMILESCc1cnc(C)n1CC[CH-]CCn1c(C)cnc1C.Cc1cnc(C)n1CC[CH-]CCn1c(C)cnc1C.Cl[Pt+2]Cl
InChIInChI=1S/2C15H23N4.2ClH.Pt/c2*1-12-10-16-14(3)18(12)8-6-5-7-9-19-13(2)11-17-15(19)4;;;/h2*5,10-11H,6-9H2,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyWOEPVJUGVPWNPL-UHFFFAOYSA-L
XLogP7.37
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.74
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,1'-(Decane-1,10-diyl)bis(4-methyl-1H-imidazole)--hydrogen chloride (1/2)
CID 116266
Gold(3+), tetrakis(2-ethyl-4-methyl-1H-imidazole-kappaN3)-, chloride (1:3), (SP-4-1)-
CID 138401894
Thallium(I) tetrakis(4-methylimidazolyl)borate
CID 139130339
tetrakis(2-ethyl-4-methyl-1H-imidazole);gold(3+);trichloride
CID 156025095
dichloroplatinum(2+);N'-[5-(2,5-dimethylimidazol-1-yl)-3,3-bis[2-(2,5-dimethylimidazol-1-yl)ethyl]pentyl]-N,N,N'-trimethylethane-1,2-diamine
CID 20669174
N,N'-bis[2-(2,5-dimethylimidazol-1-yl)ethyl]-N,N'-bis[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]butane-1,4-diamine
CID 20669180
N,N'-bis[2-(2,5-dimethylimidazol-1-yl)ethyl]-N,N'-bis[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pentane-1,5-diamine
CID 20669182
2,4,6-Tris(2-ethyl-4-methylimidazol-1-yl)-1,3,5-triazine
CID 67751874
5-Methyl-1-[(5-methyl-2-undecylimidazol-1-yl)methyl]-2-undecylimidazole
CID 69343856
3-(2,3-dimethylimidazol-4-yl)-N,N-bis[3-(2,3-dimethylimidazol-4-yl)propyl]propan-1-amine
CID 140833488
3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine
CID 140833532
3-(2,3-dibutylimidazol-4-yl)-N,N-bis[3-(2,3-dibutylimidazol-4-yl)propyl]propan-1-amine
CID 141745929

Frequently Asked Questions

What is the IUPAC name of dichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole)?
The IUPAC name of dichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole) (CID 20669176) is dichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole).
What is the SMILES notation for dichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole)?
The canonical SMILES for dichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole) is Cc1cnc(C)n1CC[CH-]CCn1c(C)cnc1C.Cc1cnc(C)n1CC[CH-]CCn1c(C)cnc1C.Cl[Pt+2]Cl.
What is the InChIKey of dichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole)?
The InChIKey is WOEPVJUGVPWNPL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H23N4.2ClH.Pt/c2*1-12-10-16-14(3)18(12)8-6-5-7-9-19-13(2)11-17-15(19)4;;;/h2*5,10-11H,6-9H2,1-4H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole)?
dichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole) has a molecular weight of 784.74 g/mol, XLogP of 7.37, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum(2+);bis(1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole) is sourced from PubChem (CID 20669176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).