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

C35H19F7N4OPt — CID 153414847

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

2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]-5-fluorobenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414847) has the molecular formula C35H19F7N4OPt and a molecular weight of 839.63 g/mol. Its IUPAC name is 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]-5-fluorobenzene-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]pyrazol-1-yl]-5-fluorobenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414847
• Molecular Formula: C35H19F7N4OPt
• Molecular Weight: 839.63 g/mol
• Exact Mass: 839.11
• IUPAC Name: 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]-5-fluorobenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(F)(F)F)cccc6C(F)(F)F)cn5)cc(F)c4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C35H19F7N4O.Pt/c1-20-11-12-43-32(13-20)46-30-8-3-2-5-26(30)27-10-9-24(17-31(27)46)47-25-15-22(36)14-23(16-25)45-19-21(18-44-45)33-28(34(37,38)39)6-4-7-29(33)35(40,41)42;/h2-15,18-19H,1H3;/q-2;+2
• InChIKey: SFRONMQJNVQVGO-UHFFFAOYSA-N
• XLogP: 9.91
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.63
LogP ≤ 5	9.91
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]pyrazol-1-yl]-5-fluorobenzene-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]pyrazol-1-yl]-5-fluorobenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153414847) is 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]-5-fluorobenzene-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]pyrazol-1-yl]-5-fluorobenzene-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]pyrazol-1-yl]-5-fluorobenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(F)(F)F)cccc6C(F)(F)F)cn5)cc(F)c4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is SFRONMQJNVQVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19F7N4O.Pt/c1-20-11-12-43-32(13-20)46-30-8-3-2-5-26(30)27-10-9-24(17-31(27)46)47-25-15-22(36)14-23(16-25)45-19-21(18-44-45)33-28(34(37,38)39)6-4-7-29(33)35(40,41)42;/h2-15,18-19H,1H3;/q-2;+2.

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

2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]-5-fluorobenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 839.63 g/mol, XLogP of 9.91, 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]pyrazol-1-yl]-5-fluorobenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153414847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).