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

C52H43N5OPt — CID 171769110

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

9-[2-[2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-diethylcarbazole;platinum(2+) (PubChem CID 171769110) has the molecular formula C52H43N5OPt and a molecular weight of 949.03 g/mol. Its IUPAC name is 9-[2-[2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-diethylcarbazole;platinum(2+).

Molecular Properties

• Compound Name: 9-[2-[2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-diethylcarbazole;platinum(2+)
• PubChem CID: 171769110
• Molecular Formula: C52H43N5OPt
• Molecular Weight: 949.03 g/mol
• Exact Mass: 948.31
• IUPAC Name: 9-[2-[2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-diethylcarbazole;platinum(2+)
• SMILES: CCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-n4c5c(CC)cccc5c5cccc(CC)c54)ccn3)ccc2)c(CC)c1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C52H43N5O.Pt/c1-5-34-19-14-24-43-44-25-15-20-35(6-2)52(44)55(51(34)43)37-29-30-53-49(32-37)56-47-26-13-12-23-41(47)42-28-27-40(33-48(42)56)58-39-22-16-21-38(31-39)57-46(8-4)50(45(7-3)54-57)36-17-10-9-11-18-36;/h9-30,32H,5-8H2,1-4H3;/q-2;+2
• InChIKey: AKMQBVJPWCYQJZ-UHFFFAOYSA-N
• XLogP: 12.77
• TPSA: 49.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.03
LogP ≤ 5	12.77
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-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-diethylcarbazole;platinum(2+)?

The IUPAC name of 9-[2-[2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-diethylcarbazole;platinum(2+) (CID 171769110) is 9-[2-[2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-diethylcarbazole;platinum(2+).

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

The canonical SMILES for 9-[2-[2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-diethylcarbazole;platinum(2+) is CCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-n4c5c(CC)cccc5c5cccc(CC)c54)ccn3)ccc2)c(CC)c1-c1ccccc1.[Pt+2].

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

The InChIKey is AKMQBVJPWCYQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43N5O.Pt/c1-5-34-19-14-24-43-44-25-15-20-35(6-2)52(44)55(51(34)43)37-29-30-53-49(32-37)56-47-26-13-12-23-41(47)42-28-27-40(33-48(42)56)58-39-22-16-21-38(31-39)57-46(8-4)50(45(7-3)54-57)36-17-10-9-11-18-36;/h9-30,32H,5-8H2,1-4H3;/q-2;+2.

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

9-[2-[2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-diethylcarbazole;platinum(2+) has a molecular weight of 949.03 g/mol, XLogP of 12.77, 10 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-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-diethylcarbazole;platinum(2+) is sourced from PubChem (CID 171769110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).