1-ethynylimidazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)

C32H20N5OPt2-3 — CID 168763369

IUPAC1-ethynylimidazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)
SMILESCN1C=CN(c2[c-]c(Oc3[c-]c(-c4[c-]c(-c5[c-]cccc5)ccn4)[c-]cc3)ccc2)[CH-]1.[C-]#Cn1ccnc1.[Pt+4].[Pt]
InChIInChI=1S/C27H17N3O.C5H3N2.2Pt/c1-29-15-16-30(20-29)24-10-6-12-26(19-24)31-25-11-5-9-23(17-25)27-18-22(13-14-28-27)21-7-3-2-4-8-21;1-2-7-4-3-6-5-7;;/h2-7,10-16,20H,1H3;3-5H;;/q-6;-1;;+4
InChIKeyBNCBFPZRTZEOCW-UHFFFAOYSA-N
MW880.70 g/mol
LogP5.82
Rot. Bonds5

About 1-ethynylimidazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)

1-ethynylimidazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+) (PubChem CID 168763369) has the molecular formula C32H20N5OPt2-3 and a molecular weight of 880.70 g/mol. Its IUPAC name is 1-ethynylimidazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+).

Molecular Properties

Compound Name1-ethynylimidazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)
PubChem CID168763369
Molecular FormulaC32H20N5OPt2-3
Molecular Weight880.70 g/mol
Exact Mass880.10
IUPAC Name1-ethynylimidazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)
SMILESCN1C=CN(c2[c-]c(Oc3[c-]c(-c4[c-]c(-c5[c-]cccc5)ccn4)[c-]cc3)ccc2)[CH-]1.[C-]#Cn1ccnc1.[Pt+4].[Pt]
InChIInChI=1S/C27H17N3O.C5H3N2.2Pt/c1-29-15-16-30(20-29)24-10-6-12-26(19-24)31-25-11-5-9-23(17-25)27-18-22(13-14-28-27)21-7-3-2-4-8-21;1-2-7-4-3-6-5-7;;/h2-7,10-16,20H,1H3;3-5H;;/q-6;-1;;+4
InChIKeyBNCBFPZRTZEOCW-UHFFFAOYSA-N
XLogP5.82
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.70
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethynylimidazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)?
The IUPAC name of 1-ethynylimidazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+) (CID 168763369) is 1-ethynylimidazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+).
What is the SMILES notation for 1-ethynylimidazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)?
The canonical SMILES for 1-ethynylimidazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+) is CN1C=CN(c2[c-]c(Oc3[c-]c(-c4[c-]c(-c5[c-]cccc5)ccn4)[c-]cc3)ccc2)[CH-]1.[C-]#Cn1ccnc1.[Pt+4].[Pt].
What is the InChIKey of 1-ethynylimidazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)?
The InChIKey is BNCBFPZRTZEOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3O.C5H3N2.2Pt/c1-29-15-16-30(20-29)24-10-6-12-26(19-24)31-25-11-5-9-23(17-25)27-18-22(13-14-28-27)21-7-3-2-4-8-21;1-2-7-4-3-6-5-7;;/h2-7,10-16,20H,1H3;3-5H;;/q-6;-1;;+4.
What are the key properties of 1-ethynylimidazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+)?
1-ethynylimidazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+) has a molecular weight of 880.70 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynylimidazole;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2,6-diid-1-yl]-4-phenyl-3H-pyridin-3-ide;platinum;platinum(4+) is sourced from PubChem (CID 168763369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).