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

C34H32N3O2Pt- — CID 176606680

About 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum

5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum (PubChem CID 176606680) has the molecular formula C34H32N3O2Pt- and a molecular weight of 709.73 g/mol. Its IUPAC name is 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum.

Molecular Properties

• Compound Name: 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
• PubChem CID: 176606680
• Molecular Formula: C34H32N3O2Pt-
• Molecular Weight: 709.73 g/mol
• Exact Mass: 709.21
• IUPAC Name: 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4ccc5c(C(C)(C)C)ccc(O)c5n4)cc(C(C)C)c3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C34H32N3O2.Pt/c1-20(2)25-18-22(39-31-14-11-23-26(34(4,5)6)12-13-29(38)33(23)36-31)19-28-32(25)24-9-7-8-10-27(24)37(28)30-17-21(3)15-16-35-30;/h7-18,20,38H,1-6H3;/q-1
• InChIKey: NERLUOHOGQMUQG-UHFFFAOYSA-N
• XLogP: 8.75
• TPSA: 60.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.73
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	1
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 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

The IUPAC name of 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum (CID 176606680) is 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum.

What is the SMILES notation for 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

The canonical SMILES for 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum is Cc1ccnc(-n2c3[c-]c(Oc4ccc5c(C(C)(C)C)ccc(O)c5n4)cc(C(C)C)c3c3ccccc32)c1.[Pt].

What is the InChIKey of 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

The InChIKey is NERLUOHOGQMUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N3O2.Pt/c1-20(2)25-18-22(39-31-14-11-23-26(34(4,5)6)12-13-29(38)33(23)36-31)19-28-32(25)24-9-7-8-10-27(24)37(28)30-17-21(3)15-16-35-30;/h7-18,20,38H,1-6H3;/q-1;.

What are the key properties of 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum has a molecular weight of 709.73 g/mol, XLogP of 8.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum is sourced from PubChem (CID 176606680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).