4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+)

C28H34Br2N2O2Pt — CID 139196538

IUPAC4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+)
SMILESCC(C)(C)c1cc(Br)cc(/C=N/C2CCCC[C@H]2/N=C/c2cc(Br)cc(C(C)(C)C)c2[O-])c1[O-].[Pt+2]
InChIInChI=1S/C28H36Br2N2O2.Pt/c1-27(2,3)21-13-19(29)11-17(25(21)33)15-31-23-9-7-8-10-24(23)32-16-18-12-20(30)14-22(26(18)34)28(4,5)6;/h11-16,23-24,33-34H,7-10H2,1-6H3;/q;+2/p-2/b31-15+,32-16+;/t23-,24?;/m1./s1
InChIKeyWAGWOJDFQMJDCJ-LZDKZDRASA-L
MW785.48 g/mol
LogP6.80
Rot. Bonds4

About 4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+)

4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+) (PubChem CID 139196538) has the molecular formula C28H34Br2N2O2Pt and a molecular weight of 785.48 g/mol. Its IUPAC name is 4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+).

Molecular Properties

Compound Name4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+)
PubChem CID139196538
Molecular FormulaC28H34Br2N2O2Pt
Molecular Weight785.48 g/mol
Exact Mass783.06
IUPAC Name4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+)
SMILESCC(C)(C)c1cc(Br)cc(/C=N/C2CCCC[C@H]2/N=C/c2cc(Br)cc(C(C)(C)C)c2[O-])c1[O-].[Pt+2]
InChIInChI=1S/C28H36Br2N2O2.Pt/c1-27(2,3)21-13-19(29)11-17(25(21)33)15-31-23-9-7-8-10-24(23)32-16-18-12-20(30)14-22(26(18)34)28(4,5)6;/h11-16,23-24,33-34H,7-10H2,1-6H3;/q;+2/p-2/b31-15+,32-16+;/t23-,24?;/m1./s1
InChIKeyWAGWOJDFQMJDCJ-LZDKZDRASA-L
XLogP6.80
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.48
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+)?
The IUPAC name of 4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+) (CID 139196538) is 4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+).
What is the SMILES notation for 4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+)?
The canonical SMILES for 4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+) is CC(C)(C)c1cc(Br)cc(/C=N/C2CCCC[C@H]2/N=C/c2cc(Br)cc(C(C)(C)C)c2[O-])c1[O-].[Pt+2].
What is the InChIKey of 4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+)?
The InChIKey is WAGWOJDFQMJDCJ-LZDKZDRASA-L. The full InChI is InChI=1S/C28H36Br2N2O2.Pt/c1-27(2,3)21-13-19(29)11-17(25(21)33)15-31-23-9-7-8-10-24(23)32-16-18-12-20(30)14-22(26(18)34)28(4,5)6;/h11-16,23-24,33-34H,7-10H2,1-6H3;/q;+2/p-2/b31-15+,32-16+;/t23-,24?;/m1./s1.
What are the key properties of 4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+)?
4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+) has a molecular weight of 785.48 g/mol, XLogP of 6.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+) is sourced from PubChem (CID 139196538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).