dichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile)

C22H28Cl2N2O2Pt — CID 143736973

IUPACdichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile)
SMILESCC.COc1ccc(CCC#N)cc1.COc1ccc(CCC#N)cc1.Cl[Pt]Cl
InChIInChI=1S/2C10H11NO.C2H6.2ClH.Pt/c2*1-12-10-6-4-9(5-7-10)3-2-8-11;1-2;;;/h2*4-7H,2-3H2,1H3;1-2H3;2*1H;/q;;;;;+2/p-2
InChIKeyPPCDITSEDMKQNL-UHFFFAOYSA-L
MW618.46 g/mol
LogP6.71
Rot. Bonds6

About dichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile)

dichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile) (PubChem CID 143736973) has the molecular formula C22H28Cl2N2O2Pt and a molecular weight of 618.46 g/mol. Its IUPAC name is dichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile).

Molecular Properties

Compound Namedichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile)
PubChem CID143736973
Molecular FormulaC22H28Cl2N2O2Pt
Molecular Weight618.46 g/mol
Exact Mass617.12
IUPAC Namedichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile)
SMILESCC.COc1ccc(CCC#N)cc1.COc1ccc(CCC#N)cc1.Cl[Pt]Cl
InChIInChI=1S/2C10H11NO.C2H6.2ClH.Pt/c2*1-12-10-6-4-9(5-7-10)3-2-8-11;1-2;;;/h2*4-7H,2-3H2,1H3;1-2H3;2*1H;/q;;;;;+2/p-2
InChIKeyPPCDITSEDMKQNL-UHFFFAOYSA-L
XLogP6.71
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.46
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-methoxyphenyl)ethylamino]propanenitrile
CID 43082695
ethane;1-methoxy-4-propylbenzene
CID 142085762
3-[4-(2-methoxyethoxy)phenyl]propanenitrile
CID 98014003
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
CID 28574147
3-[4-[7-[4-(2-cyanoethyl)phenoxy]heptoxy]phenyl]propanenitrile
CID 67069748
1-(2-cyanoethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902041
3-[4-[2-(4-pentylphenyl)ethyl]phenyl]propanenitrile
CID 19789029
3-[4-(2,2-difluoropropoxy)phenyl]propanenitrile
CID 84789993
2-[(4-methoxyphenyl)methyl]pentanedinitrile
CID 177394761
3-[4-(cyanomethyl)phenyl]propanenitrile
CID 55267944
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407

Frequently Asked Questions

What is the IUPAC name of dichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile)?
The IUPAC name of dichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile) (CID 143736973) is dichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile).
What is the SMILES notation for dichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile)?
The canonical SMILES for dichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile) is CC.COc1ccc(CCC#N)cc1.COc1ccc(CCC#N)cc1.Cl[Pt]Cl.
What is the InChIKey of dichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile)?
The InChIKey is PPCDITSEDMKQNL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H11NO.C2H6.2ClH.Pt/c2*1-12-10-6-4-9(5-7-10)3-2-8-11;1-2;;;/h2*4-7H,2-3H2,1H3;1-2H3;2*1H;/q;;;;;+2/p-2.
What are the key properties of dichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile)?
dichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile) has a molecular weight of 618.46 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile) is sourced from PubChem (CID 143736973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).