2-[9-[2-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-6-(1-methylpyrrol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)

C39H26N6OPt — CID 153285420

About 2-[9-[2-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-6-(1-methylpyrrol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)

2-[9-[2-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-6-(1-methylpyrrol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) (PubChem CID 153285420) has the molecular formula C39H26N6OPt and a molecular weight of 789.76 g/mol. Its IUPAC name is 2-[9-[2-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-6-(1-methylpyrrol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[9-[2-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-6-(1-methylpyrrol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)
• PubChem CID: 153285420
• Molecular Formula: C39H26N6OPt
• Molecular Weight: 789.76 g/mol
• Exact Mass: 789.18
• IUPAC Name: 2-[9-[2-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-6-(1-methylpyrrol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)
• SMILES: Cn1cccc1-c1ccc2c(c1)c1ccc(-c3nc4ccccc4o3)[c-]c1n2-c1[c-]c(-c2ccccn2)ccc1-c1nccn1C.[Pt+2]
• InChI: InChI=1S/C39H26N6O.Pt/c1-43-20-7-10-33(43)26-14-17-34-30(22-26)28-15-13-27(39-42-32-9-3-4-11-37(32)46-39)24-35(28)45(34)36-23-25(31-8-5-6-18-40-31)12-16-29(36)38-41-19-21-44(38)2;/h3-22H,1-2H3;/q-2;+2
• InChIKey: LTPNGKRRVKKHSU-UHFFFAOYSA-N
• XLogP: 8.66
• TPSA: 66.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.76
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[9-[2-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-6-(1-methylpyrrol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)?

The IUPAC name of 2-[9-[2-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-6-(1-methylpyrrol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) (CID 153285420) is 2-[9-[2-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-6-(1-methylpyrrol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+).

What is the SMILES notation for 2-[9-[2-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-6-(1-methylpyrrol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)?

The canonical SMILES for 2-[9-[2-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-6-(1-methylpyrrol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) is Cn1cccc1-c1ccc2c(c1)c1ccc(-c3nc4ccccc4o3)[c-]c1n2-c1[c-]c(-c2ccccn2)ccc1-c1nccn1C.[Pt+2].

What is the InChIKey of 2-[9-[2-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-6-(1-methylpyrrol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)?

The InChIKey is LTPNGKRRVKKHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N6O.Pt/c1-43-20-7-10-33(43)26-14-17-34-30(22-26)28-15-13-27(39-42-32-9-3-4-11-37(32)46-39)24-35(28)45(34)36-23-25(31-8-5-6-18-40-31)12-16-29(36)38-41-19-21-44(38)2;/h3-22H,1-2H3;/q-2;+2.

What are the key properties of 2-[9-[2-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-6-(1-methylpyrrol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)?

2-[9-[2-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-6-(1-methylpyrrol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) has a molecular weight of 789.76 g/mol, XLogP of 8.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[2-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-6-(1-methylpyrrol-2-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) is sourced from PubChem (CID 153285420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).