9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)

C44H35N5OPt — CID 171769161

About 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)

9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+) (PubChem CID 171769161) has the molecular formula C44H35N5OPt and a molecular weight of 844.88 g/mol. Its IUPAC name is 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+).

Molecular Properties

• Compound Name: 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)
• PubChem CID: 171769161
• Molecular Formula: C44H35N5OPt
• Molecular Weight: 844.88 g/mol
• Exact Mass: 844.25
• IUPAC Name: 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)
• SMILES: Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-n4c5c(C)ccc(C)c5c5c(C)ccc(C)c54)ccn3)ccc2)n1.[Pt+2]
• InChI: InChI=1S/C44H35N5O.Pt/c1-26-14-16-28(3)43-41(26)42-27(2)15-17-29(4)44(42)47(43)32-20-21-45-40(24-32)48-38-13-8-7-12-36(38)37-19-18-35(25-39(37)48)50-34-11-9-10-33(23-34)49-31(6)22-30(5)46-49;/h7-22,24H,1-6H3;/q-2;+2
• InChIKey: QRFPIYIUWDGLDT-UHFFFAOYSA-N
• XLogP: 10.70
• TPSA: 49.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.88
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	0
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 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)?

The IUPAC name of 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+) (CID 171769161) is 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+).

What is the SMILES notation for 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)?

The canonical SMILES for 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+) is Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-n4c5c(C)ccc(C)c5c5c(C)ccc(C)c54)ccn3)ccc2)n1.[Pt+2].

What is the InChIKey of 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)?

The InChIKey is QRFPIYIUWDGLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N5O.Pt/c1-26-14-16-28(3)43-41(26)42-27(2)15-17-29(4)44(42)47(43)32-20-21-45-40(24-32)48-38-13-8-7-12-36(38)37-19-18-35(25-39(37)48)50-34-11-9-10-33(23-34)49-31(6)22-30(5)46-49;/h7-22,24H,1-6H3;/q-2;+2.

What are the key properties of 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)?

9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+) has a molecular weight of 844.88 g/mol, XLogP of 10.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+) is sourced from PubChem (CID 171769161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).