6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum

C33H31N4O2Pt- — CID 176606270

About 6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum

6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum (PubChem CID 176606270) has the molecular formula C33H31N4O2Pt- and a molecular weight of 710.72 g/mol. Its IUPAC name is 6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum.

Molecular Properties

• Compound Name: 6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
• PubChem CID: 176606270
• Molecular Formula: C33H31N4O2Pt-
• Molecular Weight: 710.72 g/mol
• Exact Mass: 710.21
• IUPAC Name: 6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
• SMILES: Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2nccc(C(C)C)n2)nc2c(O)cc(C(C)(C)C)cc12.[Pt]
• InChI: InChI=1S/C33H31N4O2.Pt/c1-19(2)26-13-14-34-32(35-26)37-27-10-8-7-9-23(27)24-12-11-22(18-28(24)37)39-30-15-20(3)25-16-21(33(4,5)6)17-29(38)31(25)36-30;/h7-17,19,38H,1-6H3;/q-1
• InChIKey: YHWSKVBUTIISSL-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 73.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	710.72
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

The IUPAC name of 6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum (CID 176606270) is 6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum.

What is the SMILES notation for 6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

The canonical SMILES for 6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum is Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2nccc(C(C)C)n2)nc2c(O)cc(C(C)(C)C)cc12.[Pt].

What is the InChIKey of 6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

The InChIKey is YHWSKVBUTIISSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N4O2.Pt/c1-19(2)26-13-14-34-32(35-26)37-27-10-8-7-9-23(27)24-12-11-22(18-28(24)37)39-30-15-20(3)25-16-21(33(4,5)6)17-29(38)31(25)36-30;/h7-17,19,38H,1-6H3;/q-1;.

What are the key properties of 6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum has a molecular weight of 710.72 g/mol, XLogP of 8.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-4-methyl-2-[[9-(4-propan-2-ylpyrimidin-2-yl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum is sourced from PubChem (CID 176606270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).