2-[3-[(4,6-dimethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C30H21N3OPt — CID 153421928

About 2-[3-[(4,6-dimethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-[3-[(4,6-dimethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421928) has the molecular formula C30H21N3OPt and a molecular weight of 634.60 g/mol. Its IUPAC name is 2-[3-[(4,6-dimethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[(4,6-dimethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153421928
• Molecular Formula: C30H21N3OPt
• Molecular Weight: 634.60 g/mol
• Exact Mass: 634.13
• IUPAC Name: 2-[3-[(4,6-dimethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(C)nc(Oc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C30H21N3O.Pt/c1-20-16-21(2)32-30(17-20)34-24-9-7-8-22(18-24)23-13-14-26-25-10-3-4-11-27(25)33(28(26)19-23)29-12-5-6-15-31-29;/h3-17H,1-2H3;/q-2;+2
• InChIKey: DUXVGJCTGRUAQL-UHFFFAOYSA-N
• XLogP: 7.25
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.60
LogP ≤ 5	7.25
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-[(4,6-dimethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[(4,6-dimethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 153421928) is 2-[3-[(4,6-dimethyl-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-[(4,6-dimethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[(4,6-dimethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is Cc1cc(C)nc(Oc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c1.[Pt+2].

What is the InChIKey of 2-[3-[(4,6-dimethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is DUXVGJCTGRUAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O.Pt/c1-20-16-21(2)32-30(17-20)34-24-9-7-8-22(18-24)23-13-14-26-25-10-3-4-11-27(25)33(28(26)19-23)29-12-5-6-15-31-29;/h3-17H,1-2H3;/q-2;+2.

What are the key properties of 2-[3-[(4,6-dimethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

2-[3-[(4,6-dimethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 634.60 g/mol, XLogP of 7.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4,6-dimethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).