2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methoxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

C40H36N4O2Pt — CID 153440930

About 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methoxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methoxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153440930) has the molecular formula C40H36N4O2Pt and a molecular weight of 799.83 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methoxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methoxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153440930
• Molecular Formula: C40H36N4O2Pt
• Molecular Weight: 799.83 g/mol
• Exact Mass: 799.25
• IUPAC Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methoxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: COc1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)ccc3)[c-]c1n2-c1cc(CCC(C)C)ccn1.[Pt+2]
• InChI: InChI=1S/C40H36N4O2.Pt/c1-26(2)14-15-29-20-21-41-39(22-29)43-37-19-17-32(45-5)24-36(37)35-18-16-34(25-38(35)43)46-33-13-9-12-31(23-33)44-28(4)40(27(3)42-44)30-10-7-6-8-11-30;/h6-13,16-22,24,26H,14-15H2,1-5H3;/q-2;+2
• InChIKey: YBLQFVGFTWVKHS-UHFFFAOYSA-N
• XLogP: 9.64
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.83
LogP ≤ 5	9.64
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 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methoxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methoxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 153440930) is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methoxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methoxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methoxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is COc1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)ccc3)[c-]c1n2-c1cc(CCC(C)C)ccn1.[Pt+2].

What is the InChIKey of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methoxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is YBLQFVGFTWVKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N4O2.Pt/c1-26(2)14-15-29-20-21-41-39(22-29)43-37-19-17-32(45-5)24-36(37)35-18-16-34(25-38(35)43)46-33-13-9-12-31(23-33)44-28(4)40(27(3)42-44)30-10-7-6-8-11-30;/h6-13,16-22,24,26H,14-15H2,1-5H3;/q-2;+2.

What are the key properties of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methoxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methoxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 799.83 g/mol, XLogP of 9.64, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methoxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153440930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).