9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C₄₁H₃₂F₆N₄OPt — CID 153414553

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414553) has the molecular formula C₄₁H₃₂F₆N₄OPt and a molecular weight of 905.80 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414553
• Molecular Formula: C₄₁H₃₂F₆N₄OPt
• Molecular Weight: 905.80 g/mol
• Exact Mass: 905.21
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1c(C)c(C(F)(F)F)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c2)c(C(F)(F)F)c1C.[Pt+2]
• InChI: InChI=1S/C41H32F6N4O.Pt/c1-23-24(2)37(40(42,43)44)36(38(25(23)3)41(45,46)47)26-21-49-50(22-26)28-10-9-11-29(19-28)52-30-14-15-32-31-12-7-8-13-33(31)51(34(32)20-30)35-18-27(16-17-48-35)39(4,5)6;/h7-18,21-22H,1-6H3;/q-2;+2
• InChIKey: CVKARDQDUJCYSR-UHFFFAOYSA-N
• XLogP: 11.68
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.80
LogP ≤ 5	11.68
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153414553) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is Cc1c(C)c(C(F)(F)F)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c2)c(C(F)(F)F)c1C.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is CVKARDQDUJCYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32F6N4O.Pt/c1-23-24(2)37(40(42,43)44)36(38(25(23)3)41(45,46)47)26-21-49-50(22-26)28-10-9-11-29(19-28)52-30-14-15-32-31-12-7-8-13-33(31)51(34(32)20-30)35-18-27(16-17-48-35)39(4,5)6;/h7-18,21-22H,1-6H3;/q-2;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 905.80 g/mol, XLogP of 11.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153414553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153414553 — identifiers, structure, computed properties (public domain)

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