1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+)

C32H30N6Pt — CID 58831083

IUPAC1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+)
SMILESCC(C)(c1cn(-c2ccccc2)c(-c2nc(C(C)(C)c3ccc[n-]3)cn2-c2ccccc2)n1)c1ccc[n-]1.[Pt+2]
InChIInChI=1S/C32H30N6.Pt/c1-31(2,25-17-11-19-33-25)27-21-37(23-13-7-5-8-14-23)29(35-27)30-36-28(32(3,4)26-18-12-20-34-26)22-38(30)24-15-9-6-10-16-24;/h5-22H,1-4H3;/q-2;+2
InChIKeyVWNVFMBRMYNEIO-UHFFFAOYSA-N
MW693.71 g/mol
LogP6.29
Rot. Bonds7

About 1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+)

1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+) (PubChem CID 58831083) has the molecular formula C32H30N6Pt and a molecular weight of 693.71 g/mol. Its IUPAC name is 1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+).

Molecular Properties

Compound Name1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+)
PubChem CID58831083
Molecular FormulaC32H30N6Pt
Molecular Weight693.71 g/mol
Exact Mass693.22
IUPAC Name1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+)
SMILESCC(C)(c1cn(-c2ccccc2)c(-c2nc(C(C)(C)c3ccc[n-]3)cn2-c2ccccc2)n1)c1ccc[n-]1.[Pt+2]
InChIInChI=1S/C32H30N6.Pt/c1-31(2,25-17-11-19-33-25)27-21-37(23-13-7-5-8-14-23)29(35-27)30-36-28(32(3,4)26-18-12-20-34-26)22-38(30)24-15-9-6-10-16-24;/h5-22H,1-4H3;/q-2;+2
InChIKeyVWNVFMBRMYNEIO-UHFFFAOYSA-N
XLogP6.29
TPSA63.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.71
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+)?
The IUPAC name of 1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+) (CID 58831083) is 1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+).
What is the SMILES notation for 1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+)?
The canonical SMILES for 1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+) is CC(C)(c1cn(-c2ccccc2)c(-c2nc(C(C)(C)c3ccc[n-]3)cn2-c2ccccc2)n1)c1ccc[n-]1.[Pt+2].
What is the InChIKey of 1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+)?
The InChIKey is VWNVFMBRMYNEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N6.Pt/c1-31(2,25-17-11-19-33-25)27-21-37(23-13-7-5-8-14-23)29(35-27)30-36-28(32(3,4)26-18-12-20-34-26)22-38(30)24-15-9-6-10-16-24;/h5-22H,1-4H3;/q-2;+2.
What are the key properties of 1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+)?
1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+) has a molecular weight of 693.71 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+) is sourced from PubChem (CID 58831083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).