2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)

C30H19F3N4OPt — CID 153421385

About 2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421385) has the molecular formula C30H19F3N4OPt and a molecular weight of 703.58 g/mol. Its IUPAC name is 2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153421385
• Molecular Formula: C30H19F3N4OPt
• Molecular Weight: 703.58 g/mol
• Exact Mass: 703.12
• IUPAC Name: 2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cnc(-n2c3[c-]c(-c4[c-]c(Oc5cc(C)ccn5)ccc4)c(C(F)(F)F)cc3c3ccccc32)nc1.[Pt+2]
• InChI: InChI=1S/C30H19F3N4O.Pt/c1-18-10-11-34-28(12-18)38-21-7-5-6-20(13-21)23-15-27-24(14-25(23)30(31,32)33)22-8-3-4-9-26(22)37(27)29-35-16-19(2)17-36-29;/h3-12,14,16-17H,1-2H3;/q-2;+2
• InChIKey: QCJDSEKRZJNQDO-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 52.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.58
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+) (CID 153421385) is 2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+) is Cc1cnc(-n2c3[c-]c(-c4[c-]c(Oc5cc(C)ccn5)ccc4)c(C(F)(F)F)cc3c3ccccc32)nc1.[Pt+2].

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

The InChIKey is QCJDSEKRZJNQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19F3N4O.Pt/c1-18-10-11-34-28(12-18)38-21-7-5-6-20(13-21)23-15-27-24(14-25(23)30(31,32)33)22-8-3-4-9-26(22)37(27)29-35-16-19(2)17-36-29;/h3-12,14,16-17H,1-2H3;/q-2;+2.

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

2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 703.58 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).