bis((2-bromo-6-fluorophenyl)methyl-(2-chloro-9-propan-2-ylpurin-6-yl)azanide);cyclobutane-1,1-dicarboxylate;platinum(4+)

C36H32Br2Cl2F2N10O4Pt — CID 52917489

IUPACbis((2-bromo-6-fluorophenyl)methyl-(2-chloro-9-propan-2-ylpurin-6-yl)azanide);cyclobutane-1,1-dicarboxylate;platinum(4+)
SMILESCC(C)n1cnc2c([N-]Cc3c(F)cccc3Br)nc(Cl)nc21.CC(C)n1cnc2c([N-]Cc3c(F)cccc3Br)nc(Cl)nc21.O=C([O-])C1(C(=O)[O-])CCC1.[Pt+4]
InChIInChI=1S/2C15H13BrClFN5.C6H8O4.Pt/c2*1-8(2)23-7-20-12-13(21-15(17)22-14(12)23)19-6-9-10(16)4-3-5-11(9)18;7-4(8)6(5(9)10)2-1-3-6;/h2*3-5,7-8H,6H2,1-2H3;1-3H2,(H,7,8)(H,9,10);/q2*-1;;+4/p-2
InChIKeyAZCTYZAWLJFYMK-UHFFFAOYSA-L
MW1132.51 g/mol
LogP7.99
Rot. Bonds10

About bis((2-bromo-6-fluorophenyl)methyl-(2-chloro-9-propan-2-ylpurin-6-yl)azanide);cyclobutane-1,1-dicarboxylate;platinum(4+)

bis((2-bromo-6-fluorophenyl)methyl-(2-chloro-9-propan-2-ylpurin-6-yl)azanide);cyclobutane-1,1-dicarboxylate;platinum(4+) (PubChem CID 52917489) has the molecular formula C36H32Br2Cl2F2N10O4Pt and a molecular weight of 1132.51 g/mol. Its IUPAC name is bis((2-bromo-6-fluorophenyl)methyl-(2-chloro-9-propan-2-ylpurin-6-yl)azanide);cyclobutane-1,1-dicarboxylate;platinum(4+).

Molecular Properties

Compound Namebis((2-bromo-6-fluorophenyl)methyl-(2-chloro-9-propan-2-ylpurin-6-yl)azanide);cyclobutane-1,1-dicarboxylate;platinum(4+)
PubChem CID52917489
Molecular FormulaC36H32Br2Cl2F2N10O4Pt
Molecular Weight1132.51 g/mol
Exact Mass1129.00
IUPAC Namebis((2-bromo-6-fluorophenyl)methyl-(2-chloro-9-propan-2-ylpurin-6-yl)azanide);cyclobutane-1,1-dicarboxylate;platinum(4+)
SMILESCC(C)n1cnc2c([N-]Cc3c(F)cccc3Br)nc(Cl)nc21.CC(C)n1cnc2c([N-]Cc3c(F)cccc3Br)nc(Cl)nc21.O=C([O-])C1(C(=O)[O-])CCC1.[Pt+4]
InChIInChI=1S/2C15H13BrClFN5.C6H8O4.Pt/c2*1-8(2)23-7-20-12-13(21-15(17)22-14(12)23)19-6-9-10(16)4-3-5-11(9)18;7-4(8)6(5(9)10)2-1-3-6;/h2*3-5,7-8H,6H2,1-2H3;1-3H2,(H,7,8)(H,9,10);/q2*-1;;+4/p-2
InChIKeyAZCTYZAWLJFYMK-UHFFFAOYSA-L
XLogP7.99
TPSA195.66 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001132.51
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis((2-bromo-6-fluorophenyl)methyl-(2-chloro-9-propan-2-ylpurin-6-yl)azanide);cyclobutane-1,1-dicarboxylate;platinum(4+)?
The IUPAC name of bis((2-bromo-6-fluorophenyl)methyl-(2-chloro-9-propan-2-ylpurin-6-yl)azanide);cyclobutane-1,1-dicarboxylate;platinum(4+) (CID 52917489) is bis((2-bromo-6-fluorophenyl)methyl-(2-chloro-9-propan-2-ylpurin-6-yl)azanide);cyclobutane-1,1-dicarboxylate;platinum(4+).
What is the SMILES notation for bis((2-bromo-6-fluorophenyl)methyl-(2-chloro-9-propan-2-ylpurin-6-yl)azanide);cyclobutane-1,1-dicarboxylate;platinum(4+)?
The canonical SMILES for bis((2-bromo-6-fluorophenyl)methyl-(2-chloro-9-propan-2-ylpurin-6-yl)azanide);cyclobutane-1,1-dicarboxylate;platinum(4+) is CC(C)n1cnc2c([N-]Cc3c(F)cccc3Br)nc(Cl)nc21.CC(C)n1cnc2c([N-]Cc3c(F)cccc3Br)nc(Cl)nc21.O=C([O-])C1(C(=O)[O-])CCC1.[Pt+4].
What is the InChIKey of bis((2-bromo-6-fluorophenyl)methyl-(2-chloro-9-propan-2-ylpurin-6-yl)azanide);cyclobutane-1,1-dicarboxylate;platinum(4+)?
The InChIKey is AZCTYZAWLJFYMK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H13BrClFN5.C6H8O4.Pt/c2*1-8(2)23-7-20-12-13(21-15(17)22-14(12)23)19-6-9-10(16)4-3-5-11(9)18;7-4(8)6(5(9)10)2-1-3-6;/h2*3-5,7-8H,6H2,1-2H3;1-3H2,(H,7,8)(H,9,10);/q2*-1;;+4/p-2.
What are the key properties of bis((2-bromo-6-fluorophenyl)methyl-(2-chloro-9-propan-2-ylpurin-6-yl)azanide);cyclobutane-1,1-dicarboxylate;platinum(4+)?
bis((2-bromo-6-fluorophenyl)methyl-(2-chloro-9-propan-2-ylpurin-6-yl)azanide);cyclobutane-1,1-dicarboxylate;platinum(4+) has a molecular weight of 1132.51 g/mol, XLogP of 7.99, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2-bromo-6-fluorophenyl)methyl-(2-chloro-9-propan-2-ylpurin-6-yl)azanide);cyclobutane-1,1-dicarboxylate;platinum(4+) is sourced from PubChem (CID 52917489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).