1-(2,4-difluorobenzene-6-id-1-yl)-3-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]-5-(2,2-dimethylpropyl)-1H-isoindole;platinum(2+)

C30H22F4N2PtS — CID 154612328

About 1-(2,4-difluorobenzene-6-id-1-yl)-3-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]-5-(2,2-dimethylpropyl)-1H-isoindole;platinum(2+)

1-(2,4-difluorobenzene-6-id-1-yl)-3-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]-5-(2,2-dimethylpropyl)-1H-isoindole;platinum(2+) (PubChem CID 154612328) has the molecular formula C30H22F4N2PtS and a molecular weight of 713.66 g/mol. Its IUPAC name is 1-(2,4-difluorobenzene-6-id-1-yl)-3-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]-5-(2,2-dimethylpropyl)-1H-isoindole;platinum(2+).

Molecular Properties

• Compound Name: 1-(2,4-difluorobenzene-6-id-1-yl)-3-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]-5-(2,2-dimethylpropyl)-1H-isoindole;platinum(2+)
• PubChem CID: 154612328
• Molecular Formula: C30H22F4N2PtS
• Molecular Weight: 713.66 g/mol
• Exact Mass: 713.11
• IUPAC Name: 1-(2,4-difluorobenzene-6-id-1-yl)-3-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]-5-(2,2-dimethylpropyl)-1H-isoindole;platinum(2+)
• SMILES: CC(C)(C)Cc1ccc2c(c1)C(Sc1cccc(-c3[c-]cc(F)cc3F)n1)=NC2c1[c-]cc(F)cc1F.[Pt+2]
• InChI: InChI=1S/C30H22F4N2S.Pt/c1-30(2,3)16-17-7-10-20-23(13-17)29(36-28(20)22-12-9-19(32)15-25(22)34)37-27-6-4-5-26(35-27)21-11-8-18(31)14-24(21)33;/h4-10,13-15,28H,16H2,1-3H3;/q-2;+2
• InChIKey: WLZOPPNGLXAOFC-UHFFFAOYSA-N
• XLogP: 8.13
• TPSA: 25.25 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.66
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzene-6-id-1-yl)-3-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]-5-(2,2-dimethylpropyl)-1H-isoindole;platinum(2+)?

The IUPAC name of 1-(2,4-difluorobenzene-6-id-1-yl)-3-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]-5-(2,2-dimethylpropyl)-1H-isoindole;platinum(2+) (CID 154612328) is 1-(2,4-difluorobenzene-6-id-1-yl)-3-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]-5-(2,2-dimethylpropyl)-1H-isoindole;platinum(2+).

What is the SMILES notation for 1-(2,4-difluorobenzene-6-id-1-yl)-3-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]-5-(2,2-dimethylpropyl)-1H-isoindole;platinum(2+)?

The canonical SMILES for 1-(2,4-difluorobenzene-6-id-1-yl)-3-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]-5-(2,2-dimethylpropyl)-1H-isoindole;platinum(2+) is CC(C)(C)Cc1ccc2c(c1)C(Sc1cccc(-c3[c-]cc(F)cc3F)n1)=NC2c1[c-]cc(F)cc1F.[Pt+2].

What is the InChIKey of 1-(2,4-difluorobenzene-6-id-1-yl)-3-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]-5-(2,2-dimethylpropyl)-1H-isoindole;platinum(2+)?

The InChIKey is WLZOPPNGLXAOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F4N2S.Pt/c1-30(2,3)16-17-7-10-20-23(13-17)29(36-28(20)22-12-9-19(32)15-25(22)34)37-27-6-4-5-26(35-27)21-11-8-18(31)14-24(21)33;/h4-10,13-15,28H,16H2,1-3H3;/q-2;+2.

What are the key properties of 1-(2,4-difluorobenzene-6-id-1-yl)-3-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]-5-(2,2-dimethylpropyl)-1H-isoindole;platinum(2+)?

1-(2,4-difluorobenzene-6-id-1-yl)-3-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]-5-(2,2-dimethylpropyl)-1H-isoindole;platinum(2+) has a molecular weight of 713.66 g/mol, XLogP of 8.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-difluorobenzene-6-id-1-yl)-3-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]sulfanyl]-5-(2,2-dimethylpropyl)-1H-isoindole;platinum(2+) is sourced from PubChem (CID 154612328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).