2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]-3,5-ditert-butylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C43H36F6N4OPt — CID 153417787

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

2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]-3,5-ditert-butylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153417787) has the molecular formula C43H36F6N4OPt and a molecular weight of 933.85 g/mol. Its IUPAC name is 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]-3,5-ditert-butylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]-3,5-ditert-butylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153417787
• Molecular Formula: C43H36F6N4OPt
• Molecular Weight: 933.85 g/mol
• Exact Mass: 933.24
• IUPAC Name: 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]-3,5-ditert-butylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C(C)(C)C)c(-c6c(C(F)(F)F)cccc6C(F)(F)F)c5C(C)(C)C)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C43H36F6N4O.Pt/c1-25-20-21-50-35(22-25)52-33-17-9-8-14-29(33)30-19-18-28(24-34(30)52)54-27-13-10-12-26(23-27)53-39(41(5,6)7)37(38(51-53)40(2,3)4)36-31(42(44,45)46)15-11-16-32(36)43(47,48)49;/h8-22H,1-7H3;/q-2;+2
• InChIKey: PMSVTDXCUYRIHN-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.85
LogP ≤ 5	12.36
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-[2,6-bis(trifluoromethyl)phenyl]-3,5-ditert-butylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]-3,5-ditert-butylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153417787) is 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]-3,5-ditert-butylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]-3,5-ditert-butylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C(C)(C)C)c(-c6c(C(F)(F)F)cccc6C(F)(F)F)c5C(C)(C)C)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is PMSVTDXCUYRIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36F6N4O.Pt/c1-25-20-21-50-35(22-25)52-33-17-9-8-14-29(33)30-19-18-28(24-34(30)52)54-27-13-10-12-26(23-27)53-39(41(5,6)7)37(38(51-53)40(2,3)4)36-31(42(44,45)46)15-11-16-32(36)43(47,48)49;/h8-22H,1-7H3;/q-2;+2.

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

2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]-3,5-ditert-butylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 933.85 g/mol, XLogP of 12.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]-3,5-ditert-butylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153417787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).