bis(3-hydroxy-1,3-bis(2,4,6-trimethylphenyl)prop-2-en-1-one);1-methyl-3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-3,6-diid-1-yl]-2H-imidazol-2-ide;bis(platinum(2+))

C56H62N4O4Pt2 — CID 160930028

IUPACbis(3-hydroxy-1,3-bis(2,4,6-trimethylphenyl)prop-2-en-1-one);1-methyl-3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-3,6-diid-1-yl]-2H-imidazol-2-ide;bis(platinum(2+))
SMILESCN1C=CN(c2[c-]cc(N3C=CN(C)[CH-]3)[c-]c2)[CH-]1.Cc1cc(C)c(C(=O)C=C(O)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(C(=O)C=C(O)c2c(C)cc(C)cc2C)c(C)c1.[Pt+2].[Pt+2]
InChIInChI=1S/2C21H24O2.C14H14N4.2Pt/c2*1-12-7-14(3)20(15(4)8-12)18(22)11-19(23)21-16(5)9-13(2)10-17(21)6;1-15-7-9-17(11-15)13-3-5-14(6-4-13)18-10-8-16(2)12-18;;/h2*7-11,22H,1-6H3;3,6-12H,1-2H3;;/q;;-4;2*+2
InChIKeyVHIWPSUEESTSCP-UHFFFAOYSA-N
MW1245.29 g/mol
LogP12.60
Rot. Bonds8

About bis(3-hydroxy-1,3-bis(2,4,6-trimethylphenyl)prop-2-en-1-one);1-methyl-3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-3,6-diid-1-yl]-2H-imidazol-2-ide;bis(platinum(2+))

bis(3-hydroxy-1,3-bis(2,4,6-trimethylphenyl)prop-2-en-1-one);1-methyl-3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-3,6-diid-1-yl]-2H-imidazol-2-ide;bis(platinum(2+)) (PubChem CID 160930028) has the molecular formula C56H62N4O4Pt2 and a molecular weight of 1245.29 g/mol. Its IUPAC name is bis(3-hydroxy-1,3-bis(2,4,6-trimethylphenyl)prop-2-en-1-one);1-methyl-3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-3,6-diid-1-yl]-2H-imidazol-2-ide;bis(platinum(2+)).

Molecular Properties

Compound Namebis(3-hydroxy-1,3-bis(2,4,6-trimethylphenyl)prop-2-en-1-one);1-methyl-3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-3,6-diid-1-yl]-2H-imidazol-2-ide;bis(platinum(2+))
PubChem CID160930028
Molecular FormulaC56H62N4O4Pt2
Molecular Weight1245.29 g/mol
Exact Mass1244.41
IUPAC Namebis(3-hydroxy-1,3-bis(2,4,6-trimethylphenyl)prop-2-en-1-one);1-methyl-3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-3,6-diid-1-yl]-2H-imidazol-2-ide;bis(platinum(2+))
SMILESCN1C=CN(c2[c-]cc(N3C=CN(C)[CH-]3)[c-]c2)[CH-]1.Cc1cc(C)c(C(=O)C=C(O)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(C(=O)C=C(O)c2c(C)cc(C)cc2C)c(C)c1.[Pt+2].[Pt+2]
InChIInChI=1S/2C21H24O2.C14H14N4.2Pt/c2*1-12-7-14(3)20(15(4)8-12)18(22)11-19(23)21-16(5)9-13(2)10-17(21)6;1-15-7-9-17(11-15)13-3-5-14(6-4-13)18-10-8-16(2)12-18;;/h2*7-11,22H,1-6H3;3,6-12H,1-2H3;;/q;;-4;2*+2
InChIKeyVHIWPSUEESTSCP-UHFFFAOYSA-N
XLogP12.60
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001245.29
LogP ≤ 512.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(3-hydroxy-1,3-bis(2,4,6-trimethylphenyl)prop-2-en-1-one);1-methyl-3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-3,6-diid-1-yl]-2H-imidazol-2-ide;bis(platinum(2+))?
The IUPAC name of bis(3-hydroxy-1,3-bis(2,4,6-trimethylphenyl)prop-2-en-1-one);1-methyl-3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-3,6-diid-1-yl]-2H-imidazol-2-ide;bis(platinum(2+)) (CID 160930028) is bis(3-hydroxy-1,3-bis(2,4,6-trimethylphenyl)prop-2-en-1-one);1-methyl-3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-3,6-diid-1-yl]-2H-imidazol-2-ide;bis(platinum(2+)).
What is the SMILES notation for bis(3-hydroxy-1,3-bis(2,4,6-trimethylphenyl)prop-2-en-1-one);1-methyl-3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-3,6-diid-1-yl]-2H-imidazol-2-ide;bis(platinum(2+))?
The canonical SMILES for bis(3-hydroxy-1,3-bis(2,4,6-trimethylphenyl)prop-2-en-1-one);1-methyl-3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-3,6-diid-1-yl]-2H-imidazol-2-ide;bis(platinum(2+)) is CN1C=CN(c2[c-]cc(N3C=CN(C)[CH-]3)[c-]c2)[CH-]1.Cc1cc(C)c(C(=O)C=C(O)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(C(=O)C=C(O)c2c(C)cc(C)cc2C)c(C)c1.[Pt+2].[Pt+2].
What is the InChIKey of bis(3-hydroxy-1,3-bis(2,4,6-trimethylphenyl)prop-2-en-1-one);1-methyl-3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-3,6-diid-1-yl]-2H-imidazol-2-ide;bis(platinum(2+))?
The InChIKey is VHIWPSUEESTSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H24O2.C14H14N4.2Pt/c2*1-12-7-14(3)20(15(4)8-12)18(22)11-19(23)21-16(5)9-13(2)10-17(21)6;1-15-7-9-17(11-15)13-3-5-14(6-4-13)18-10-8-16(2)12-18;;/h2*7-11,22H,1-6H3;3,6-12H,1-2H3;;/q;;-4;2*+2.
What are the key properties of bis(3-hydroxy-1,3-bis(2,4,6-trimethylphenyl)prop-2-en-1-one);1-methyl-3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-3,6-diid-1-yl]-2H-imidazol-2-ide;bis(platinum(2+))?
bis(3-hydroxy-1,3-bis(2,4,6-trimethylphenyl)prop-2-en-1-one);1-methyl-3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-3,6-diid-1-yl]-2H-imidazol-2-ide;bis(platinum(2+)) has a molecular weight of 1245.29 g/mol, XLogP of 12.60, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-hydroxy-1,3-bis(2,4,6-trimethylphenyl)prop-2-en-1-one);1-methyl-3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-3,6-diid-1-yl]-2H-imidazol-2-ide;bis(platinum(2+)) is sourced from PubChem (CID 160930028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).