2-[3-[(4,5-diethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C32H25N3OPt — CID 153421036

About 2-[3-[(4,5-diethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-[3-[(4,5-diethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421036) has the molecular formula C32H25N3OPt and a molecular weight of 662.65 g/mol. Its IUPAC name is 2-[3-[(4,5-diethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[(4,5-diethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153421036
• Molecular Formula: C32H25N3OPt
• Molecular Weight: 662.65 g/mol
• Exact Mass: 662.16
• IUPAC Name: 2-[3-[(4,5-diethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1cnc(Oc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)cc1CC.[Pt+2]
• InChI: InChI=1S/C32H25N3O.Pt/c1-3-22-20-32(34-21-23(22)4-2)36-26-11-9-10-24(18-26)25-15-16-28-27-12-5-6-13-29(27)35(30(28)19-25)31-14-7-8-17-33-31;/h5-17,20-21H,3-4H2,1-2H3;/q-2;+2
• InChIKey: XZVZOLCMCGGZTH-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.65
LogP ≤ 5	7.76
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 2-[3-[(4,5-diethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[(4,5-diethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 153421036) is 2-[3-[(4,5-diethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[(4,5-diethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[(4,5-diethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is CCc1cnc(Oc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)cc1CC.[Pt+2].

What is the InChIKey of 2-[3-[(4,5-diethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is XZVZOLCMCGGZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O.Pt/c1-3-22-20-32(34-21-23(22)4-2)36-26-11-9-10-24(18-26)25-15-16-28-27-12-5-6-13-29(27)35(30(28)19-25)31-14-7-8-17-33-31;/h5-17,20-21H,3-4H2,1-2H3;/q-2;+2.

What are the key properties of 2-[3-[(4,5-diethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

2-[3-[(4,5-diethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 662.65 g/mol, XLogP of 7.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4,5-diethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).