9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)

C43H33N5OPt — CID 171769299

About 9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)

9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 171769299) has the molecular formula C43H33N5OPt and a molecular weight of 830.85 g/mol. Its IUPAC name is 9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 171769299
• Molecular Formula: C43H33N5OPt
• Molecular Weight: 830.85 g/mol
• Exact Mass: 830.23
• IUPAC Name: 9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)cc4C)ccc3)[c-]c1n2-c1cc(-n2c3c(C)cccc3c3cccc(C)c32)ccn1.[Pt+2]
• InChI: InChI=1S/C43H33N5O.Pt/c1-26-15-18-39-38(21-26)35-17-16-34(49-33-12-8-11-32(23-33)48-30(5)22-29(4)45-48)25-40(35)47(39)41-24-31(19-20-44-41)46-42-27(2)9-6-13-36(42)37-14-7-10-28(3)43(37)46;/h6-22,24H,1-5H3;/q-2;+2
• InChIKey: OEMPJYSTOSRMTR-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 49.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.85
LogP ≤ 5	10.39
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-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+) (CID 171769299) is 9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+) is Cc1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)cc4C)ccc3)[c-]c1n2-c1cc(-n2c3c(C)cccc3c3cccc(C)c32)ccn1.[Pt+2].

What is the InChIKey of 9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is OEMPJYSTOSRMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N5O.Pt/c1-26-15-18-39-38(21-26)35-17-16-34(49-33-12-8-11-32(23-33)48-30(5)22-29(4)45-48)25-40(35)47(39)41-24-31(19-20-44-41)46-42-27(2)9-6-13-36(42)37-14-7-10-28(3)43(37)46;/h6-22,24H,1-5H3;/q-2;+2.

What are the key properties of 9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)?

9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 830.85 g/mol, XLogP of 10.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 171769299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).