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

C₄₃H₄₂N₄OPt — CID 153413051

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

2-[3-[4-(3,5-dimethyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413051) has the molecular formula C₄₃H₄₂N₄OPt and a molecular weight of 825.91 g/mol. Its IUPAC name is 2-[3-[4-(3,5-dimethyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(3,5-dimethyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413051
• Molecular Formula: C₄₃H₄₂N₄OPt
• Molecular Weight: 825.91 g/mol
• Exact Mass: 825.30
• IUPAC Name: 2-[3-[4-(3,5-dimethyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCc1c(C)cc(C)c(CCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C43H42N4O.Pt/c1-7-12-36-29(5)22-30(6)37(13-8-2)43(36)32-26-45-46(27-32)33-14-11-15-34(24-33)48-35-18-19-39-38-16-9-10-17-40(38)47(41(39)25-35)42-23-31(28(3)4)20-21-44-42;/h9-11,14-23,26-28H,7-8,12-13H2,1-6H3;/q-2;+2
• InChIKey: GFOIMMXOHYYFMC-UHFFFAOYSA-N
• XLogP: 11.07
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.91
LogP ≤ 5	11.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3,5-dimethyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(3,5-dimethyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153413051) is 2-[3-[4-(3,5-dimethyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[4-(3,5-dimethyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCCc1c(C)cc(C)c(CCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)ccc2)c1.[Pt+2].

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

The InChIKey is GFOIMMXOHYYFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N4O.Pt/c1-7-12-36-29(5)22-30(6)37(13-8-2)43(36)32-26-45-46(27-32)33-14-11-15-34(24-33)48-35-18-19-39-38-16-9-10-17-40(38)47(41(39)25-35)42-23-31(28(3)4)20-21-44-42;/h9-11,14-23,26-28H,7-8,12-13H2,1-6H3;/q-2;+2.

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

2-[3-[4-(3,5-dimethyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 825.91 g/mol, XLogP of 11.07, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(3,5-dimethyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153413051 — identifiers, structure, computed properties (public domain)

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