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

C29H50Cl2N8Pt+2 — CID 20669174

IUPACdichloroplatinum(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
SMILESCc1cnc(C)n1CCC(CCN(C)CCN(C)C)(CCn1c(C)cnc1C)CCn1c(C)cnc1C.Cl[Pt+2]Cl
InChIInChI=1S/C29H50N8.2ClH.Pt/c1-23-20-30-26(4)35(23)15-11-29(10-14-34(9)19-18-33(7)8,12-16-36-24(2)21-31-27(36)5)13-17-37-25(3)22-32-28(37)6;;;/h20-22H,10-19H2,1-9H3;2*1H;/q;;;+4/p-2
InChIKeyIBBTXTANWQWKPP-UHFFFAOYSA-L
MW776.76 g/mol
LogP5.94
Rot. Bonds15

About 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

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 (PubChem CID 20669174) has the molecular formula C29H50Cl2N8Pt+2 and a molecular weight of 776.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedichloroplatinum(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
PubChem CID20669174
Molecular FormulaC29H50Cl2N8Pt+2
Molecular Weight776.76 g/mol
Exact Mass775.32
IUPAC Namedichloroplatinum(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
SMILESCc1cnc(C)n1CCC(CCN(C)CCN(C)C)(CCn1c(C)cnc1C)CCn1c(C)cnc1C.Cl[Pt+2]Cl
InChIInChI=1S/C29H50N8.2ClH.Pt/c1-23-20-30-26(4)35(23)15-11-29(10-14-34(9)19-18-33(7)8,12-16-36-24(2)21-31-27(36)5)13-17-37-25(3)22-32-28(37)6;;;/h20-22H,10-19H2,1-9H3;2*1H;/q;;;+4/p-2
InChIKeyIBBTXTANWQWKPP-UHFFFAOYSA-L
XLogP5.94
TPSA59.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.76
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc(C)n1CCC(CCN(C)CCN(C)C)(CCn1c(C)cnc1C)CCn1c(C)cnc1C.Cl[Pt+2]Cl.
What is the InChIKey of 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?
The InChIKey is IBBTXTANWQWKPP-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H50N8.2ClH.Pt/c1-23-20-30-26(4)35(23)15-11-29(10-14-34(9)19-18-33(7)8,12-16-36-24(2)21-31-27(36)5)13-17-37-25(3)22-32-28(37)6;;;/h20-22H,10-19H2,1-9H3;2*1H;/q;;;+4/p-2.
What are the key properties of 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?
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 has a molecular weight of 776.76 g/mol, XLogP of 5.94, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 20669174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).