platinum(2+);9-pyridin-2-yl-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide

C29H16F3N3OPt — CID 153421770

About platinum(2+);9-pyridin-2-yl-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide

platinum(2+);9-pyridin-2-yl-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide (PubChem CID 153421770) has the molecular formula C29H16F3N3OPt and a molecular weight of 674.54 g/mol. Its IUPAC name is platinum(2+);9-pyridin-2-yl-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: platinum(2+);9-pyridin-2-yl-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide
• PubChem CID: 153421770
• Molecular Formula: C29H16F3N3OPt
• Molecular Weight: 674.54 g/mol
• Exact Mass: 674.09
• IUPAC Name: platinum(2+);9-pyridin-2-yl-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide
• SMILES: FC(F)(F)c1cccnc1Oc1[c-]c(-c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc1.[Pt+2]
• InChI: InChI=1S/C29H16F3N3O.Pt/c30-29(31,32)24-10-6-16-34-28(24)36-21-8-5-7-19(17-21)20-13-14-23-22-9-1-2-11-25(22)35(26(23)18-20)27-12-3-4-15-33-27;/h1-16H;/q-2;+2
• InChIKey: XOIXPXYVASOJLX-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.54
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum(2+);9-pyridin-2-yl-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide?

The IUPAC name of platinum(2+);9-pyridin-2-yl-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide (CID 153421770) is platinum(2+);9-pyridin-2-yl-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide.

What is the SMILES notation for platinum(2+);9-pyridin-2-yl-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide?

The canonical SMILES for platinum(2+);9-pyridin-2-yl-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide is FC(F)(F)c1cccnc1Oc1[c-]c(-c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc1.[Pt+2].

What is the InChIKey of platinum(2+);9-pyridin-2-yl-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide?

The InChIKey is XOIXPXYVASOJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16F3N3O.Pt/c30-29(31,32)24-10-6-16-34-28(24)36-21-8-5-7-19(17-21)20-13-14-23-22-9-1-2-11-25(22)35(26(23)18-20)27-12-3-4-15-33-27;/h1-16H;/q-2;+2.

What are the key properties of platinum(2+);9-pyridin-2-yl-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide?

platinum(2+);9-pyridin-2-yl-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide has a molecular weight of 674.54 g/mol, XLogP of 7.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);9-pyridin-2-yl-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide is sourced from PubChem (CID 153421770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).