bis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+))

C113H110N4O2P4Pt4+8 — CID 158683244

IUPACbis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+))
SMILESCN(CCCN(C)Cc1[c-]cccc1)Cc1[c-]cccc1.CN(CCN(C)Cc1[c-]cccc1)Cc1[c-]cccc1.[2H]c1cc([PH+](Cc2[c-]c(Oc3[c-]c(C[PH+](c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])ccc3)ccc2)c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[2H]c1cc([PH+](c2c([2H])c([2H])c([2H])c([2H])c2[2H])C([2H])([2H])c2[c-]c(Oc3[c-]c(C([2H])([2H])[PH+](c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])ccc3)ccc2)c([2H])c([2H])c1[2H].[Pt+2].[Pt+2].[Pt+4].[Pt+4]
InChIInChI=1S/2C38H30OP2.C19H24N2.C18H22N2.4Pt/c2*1-5-19-35(20-6-1)40(36-21-7-2-8-22-36)29-31-15-13-17-33(27-31)39-34-18-14-16-32(28-34)30-41(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-20(16-18-10-5-3-6-11-18)14-9-15-21(2)17-19-12-7-4-8-13-19;1-19(15-17-9-5-3-6-10-17)13-14-20(2)16-18-11-7-4-8-12-18;;;;/h2*1-26H,29-30H2;3-8,10,12H,9,14-17H2,1-2H3;3-9,11H,13-16H2,1-2H3;;;;/q4*-2;2*+2;2*+4/p+4/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,19D,20D,21D,22D,23D,24D,25D,29D2,30D2;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,19D,20D,21D,22D,23D,24D,25D;;;;;;
InChIKeyOFZBZJRLCOYJFY-BGNXYEECSA-R
MW2502.61 g/mol
LogP21.70
Rot. Bonds35

About bis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+))

bis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+)) (PubChem CID 158683244) has the molecular formula C113H110N4O2P4Pt4+8 and a molecular weight of 2502.61 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+)).

Molecular Properties

Compound Namebis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+))
PubChem CID158683244
Molecular FormulaC113H110N4O2P4Pt4+8
Molecular Weight2502.61 g/mol
Exact Mass2500.88
IUPAC Namebis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+))
SMILESCN(CCCN(C)Cc1[c-]cccc1)Cc1[c-]cccc1.CN(CCN(C)Cc1[c-]cccc1)Cc1[c-]cccc1.[2H]c1cc([PH+](Cc2[c-]c(Oc3[c-]c(C[PH+](c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])ccc3)ccc2)c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[2H]c1cc([PH+](c2c([2H])c([2H])c([2H])c([2H])c2[2H])C([2H])([2H])c2[c-]c(Oc3[c-]c(C([2H])([2H])[PH+](c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])ccc3)ccc2)c([2H])c([2H])c1[2H].[Pt+2].[Pt+2].[Pt+4].[Pt+4]
InChIInChI=1S/2C38H30OP2.C19H24N2.C18H22N2.4Pt/c2*1-5-19-35(20-6-1)40(36-21-7-2-8-22-36)29-31-15-13-17-33(27-31)39-34-18-14-16-32(28-34)30-41(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-20(16-18-10-5-3-6-11-18)14-9-15-21(2)17-19-12-7-4-8-13-19;1-19(15-17-9-5-3-6-10-17)13-14-20(2)16-18-11-7-4-8-12-18;;;;/h2*1-26H,29-30H2;3-8,10,12H,9,14-17H2,1-2H3;3-9,11H,13-16H2,1-2H3;;;;/q4*-2;2*+2;2*+4/p+4/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,19D,20D,21D,22D,23D,24D,25D,29D2,30D2;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,19D,20D,21D,22D,23D,24D,25D;;;;;;
InChIKeyOFZBZJRLCOYJFY-BGNXYEECSA-R
XLogP21.70
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds35
Heavy Atoms127
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002502.61
LogP ≤ 521.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+))?
The IUPAC name of bis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+)) (CID 158683244) is bis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+)).
What is the SMILES notation for bis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+))?
The canonical SMILES for bis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+)) is CN(CCCN(C)Cc1[c-]cccc1)Cc1[c-]cccc1.CN(CCN(C)Cc1[c-]cccc1)Cc1[c-]cccc1.[2H]c1cc([PH+](Cc2[c-]c(Oc3[c-]c(C[PH+](c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])ccc3)ccc2)c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[2H]c1cc([PH+](c2c([2H])c([2H])c([2H])c([2H])c2[2H])C([2H])([2H])c2[c-]c(Oc3[c-]c(C([2H])([2H])[PH+](c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])ccc3)ccc2)c([2H])c([2H])c1[2H].[Pt+2].[Pt+2].[Pt+4].[Pt+4].
What is the InChIKey of bis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+))?
The InChIKey is OFZBZJRLCOYJFY-BGNXYEECSA-R. The full InChI is InChI=1S/2C38H30OP2.C19H24N2.C18H22N2.4Pt/c2*1-5-19-35(20-6-1)40(36-21-7-2-8-22-36)29-31-15-13-17-33(27-31)39-34-18-14-16-32(28-34)30-41(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-20(16-18-10-5-3-6-11-18)14-9-15-21(2)17-19-12-7-4-8-13-19;1-19(15-17-9-5-3-6-10-17)13-14-20(2)16-18-11-7-4-8-12-18;;;;/h2*1-26H,29-30H2;3-8,10,12H,9,14-17H2,1-2H3;3-9,11H,13-16H2,1-2H3;;;;/q4*-2;2*+2;2*+4/p+4/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,19D,20D,21D,22D,23D,24D,25D,29D2,30D2;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,19D,20D,21D,22D,23D,24D,25D;;;;;;.
What are the key properties of bis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+))?
bis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+)) has a molecular weight of 2502.61 g/mol, XLogP of 21.70, 35 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+)) is sourced from PubChem (CID 158683244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).