bis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate

C36H36N4O12Pt2 — CID 139085594

IUPACbis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate
SMILESO.O.O.O.O=C([O-])C1(C(=O)[O-])CCC1.O=C([O-])C1(C(=O)[O-])CCC1.[Pt+2].[Pt+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C6H8O4.4H2O.2Pt/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*7-4(8)6(5(9)10)2-1-3-6;;;;;;/h2*1-8H;2*1-3H2,(H,7,8)(H,9,10);4*1H2;;/q;;;;;;;;2*+2/p-4
InChIKeyLYEPCMDUYCECAV-UHFFFAOYSA-J
MW1106.86 g/mol
LogP-2.42
Rot. Bonds4

About bis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate

bis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate (PubChem CID 139085594) has the molecular formula C36H36N4O12Pt2 and a molecular weight of 1106.86 g/mol. Its IUPAC name is bis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate.

Molecular Properties

Compound Namebis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate
PubChem CID139085594
Molecular FormulaC36H36N4O12Pt2
Molecular Weight1106.86 g/mol
Exact Mass1106.16
IUPAC Namebis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate
SMILESO.O.O.O.O=C([O-])C1(C(=O)[O-])CCC1.O=C([O-])C1(C(=O)[O-])CCC1.[Pt+2].[Pt+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C6H8O4.4H2O.2Pt/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*7-4(8)6(5(9)10)2-1-3-6;;;;;;/h2*1-8H;2*1-3H2,(H,7,8)(H,9,10);4*1H2;;/q;;;;;;;;2*+2/p-4
InChIKeyLYEPCMDUYCECAV-UHFFFAOYSA-J
XLogP-2.42
TPSA338.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001106.86
LogP ≤ 5-2.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate?
The IUPAC name of bis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate (CID 139085594) is bis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate.
What is the SMILES notation for bis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate?
The canonical SMILES for bis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate is O.O.O.O.O=C([O-])C1(C(=O)[O-])CCC1.O=C([O-])C1(C(=O)[O-])CCC1.[Pt+2].[Pt+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate?
The InChIKey is LYEPCMDUYCECAV-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H8N2.2C6H8O4.4H2O.2Pt/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*7-4(8)6(5(9)10)2-1-3-6;;;;;;/h2*1-8H;2*1-3H2,(H,7,8)(H,9,10);4*1H2;;/q;;;;;;;;2*+2/p-4.
What are the key properties of bis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate?
bis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate has a molecular weight of 1106.86 g/mol, XLogP of -2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclobutane-1,1-dicarboxylate);bis(1,10-phenanthroline);bis(platinum(2+));tetrahydrate is sourced from PubChem (CID 139085594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).