8-tert-butyl-6-[[8-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-1,5-naphthyridin-4-ol;platinum

C31H27N4O2Pt- — CID 176605913

About 8-tert-butyl-6-[[8-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-1,5-naphthyridin-4-ol;platinum

8-tert-butyl-6-[[8-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-1,5-naphthyridin-4-ol;platinum (PubChem CID 176605913) has the molecular formula C31H27N4O2Pt- and a molecular weight of 682.66 g/mol. Its IUPAC name is 8-tert-butyl-6-[[8-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-1,5-naphthyridin-4-ol;platinum.

Molecular Properties

• Compound Name: 8-tert-butyl-6-[[8-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-1,5-naphthyridin-4-ol;platinum
• PubChem CID: 176605913
• Molecular Formula: C31H27N4O2Pt-
• Molecular Weight: 682.66 g/mol
• Exact Mass: 682.18
• IUPAC Name: 8-tert-butyl-6-[[8-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-1,5-naphthyridin-4-ol;platinum
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4cc(C(C)(C)C)c5nccc(O)c5n4)ccc3c3cccc(C)c32)c1.[Pt]
• InChI: InChI=1S/C31H27N4O2.Pt/c1-18-11-13-32-26(15-18)35-24-16-20(9-10-21(24)22-8-6-7-19(2)30(22)35)37-27-17-23(31(3,4)5)28-29(34-27)25(36)12-14-33-28;/h6-15,17H,1-5H3,(H,33,36);/q-1
• InChIKey: MRKPGPAERIRWNS-UHFFFAOYSA-N
• XLogP: 7.33
• TPSA: 73.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	682.66
LogP ≤ 5	7.33
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 8-tert-butyl-6-[[8-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-1,5-naphthyridin-4-ol;platinum?

The IUPAC name of 8-tert-butyl-6-[[8-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-1,5-naphthyridin-4-ol;platinum (CID 176605913) is 8-tert-butyl-6-[[8-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-1,5-naphthyridin-4-ol;platinum.

What is the SMILES notation for 8-tert-butyl-6-[[8-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-1,5-naphthyridin-4-ol;platinum?

The canonical SMILES for 8-tert-butyl-6-[[8-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-1,5-naphthyridin-4-ol;platinum is Cc1ccnc(-n2c3[c-]c(Oc4cc(C(C)(C)C)c5nccc(O)c5n4)ccc3c3cccc(C)c32)c1.[Pt].

What is the InChIKey of 8-tert-butyl-6-[[8-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-1,5-naphthyridin-4-ol;platinum?

The InChIKey is MRKPGPAERIRWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N4O2.Pt/c1-18-11-13-32-26(15-18)35-24-16-20(9-10-21(24)22-8-6-7-19(2)30(22)35)37-27-17-23(31(3,4)5)28-29(34-27)25(36)12-14-33-28;/h6-15,17H,1-5H3,(H,33,36);/q-1;.

What are the key properties of 8-tert-butyl-6-[[8-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-1,5-naphthyridin-4-ol;platinum?

8-tert-butyl-6-[[8-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-1,5-naphthyridin-4-ol;platinum has a molecular weight of 682.66 g/mol, XLogP of 7.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-tert-butyl-6-[[8-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-1,5-naphthyridin-4-ol;platinum is sourced from PubChem (CID 176605913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).