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

C40H27N5OPt — CID 140742590

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

9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 140742590) has the molecular formula C40H27N5OPt and a molecular weight of 788.77 g/mol. Its IUPAC name is 9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 140742590
• Molecular Formula: C40H27N5OPt
• Molecular Weight: 788.77 g/mol
• Exact Mass: 788.19
• IUPAC Name: 9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-n4c5ccccc5c5ccccc54)ccn3)ccc2)n1.[Pt+2]
• InChI: InChI=1S/C40H27N5O.Pt/c1-26-22-27(2)45(42-26)29-10-9-11-30(23-29)46-31-18-19-35-34-14-5-8-17-38(34)44(39(35)25-31)40-24-28(20-21-41-40)43-36-15-6-3-12-32(36)33-13-4-7-16-37(33)43;/h3-22,24H,1-2H3;/q-2;+2
• InChIKey: NVUJVBVHZHWYPU-UHFFFAOYSA-N
• XLogP: 9.47
• TPSA: 49.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.77
LogP ≤ 5	9.47
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-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 140742590) is 9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-n4c5ccccc5c5ccccc54)ccn3)ccc2)n1.[Pt+2].

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

The InChIKey is NVUJVBVHZHWYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N5O.Pt/c1-26-22-27(2)45(42-26)29-10-9-11-30(23-29)46-31-18-19-35-34-14-5-8-17-38(34)44(39(35)25-31)40-24-28(20-21-41-40)43-36-15-6-3-12-32(36)33-13-4-7-16-37(33)43;/h3-22,24H,1-2H3;/q-2;+2.

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

9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 788.77 g/mol, XLogP of 9.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-carbazol-9-yl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 140742590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).