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

C38H25N7OPt — CID 142328085

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

6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) (PubChem CID 142328085) has the molecular formula C38H25N7OPt and a molecular weight of 790.74 g/mol. Its IUPAC name is 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+).

Molecular Properties

• Compound Name: 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)
• PubChem CID: 142328085
• Molecular Formula: C38H25N7OPt
• Molecular Weight: 790.74 g/mol
• Exact Mass: 790.18
• IUPAC Name: 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)
• SMILES: Cn1ccnc1-c1cc(-c2ccccn2)[c-]c(-n2c3[c-]c(-c4nc5ccc(-c6nccn6C)cc5o4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C38H25N7O.Pt/c1-43-17-15-40-36(43)24-11-13-32-35(23-24)46-38(42-32)25-10-12-30-29-7-3-4-9-33(29)45(34(30)22-25)28-20-26(31-8-5-6-14-39-31)19-27(21-28)37-41-16-18-44(37)2;/h3-19,21,23H,1-2H3;/q-2;+2
• InChIKey: SKVNEBHQGYCFDX-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 79.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.74
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) (CID 142328085) is 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+).

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

The canonical SMILES for 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) is Cn1ccnc1-c1cc(-c2ccccn2)[c-]c(-n2c3[c-]c(-c4nc5ccc(-c6nccn6C)cc5o4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is SKVNEBHQGYCFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N7O.Pt/c1-43-17-15-40-36(43)24-11-13-32-35(23-24)46-38(42-32)25-10-12-30-29-7-3-4-9-33(29)45(34(30)22-25)28-20-26(31-8-5-6-14-39-31)19-27(21-28)37-41-16-18-44(37)2;/h3-19,21,23H,1-2H3;/q-2;+2.

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

6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) has a molecular weight of 790.74 g/mol, XLogP of 8.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) is sourced from PubChem (CID 142328085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).