4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+)

C39H34FN5OPd — CID 153443159

About 4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+)

4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+) (PubChem CID 153443159) has the molecular formula C39H34FN5OPd and a molecular weight of 714.15 g/mol. Its IUPAC name is 4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+).

Molecular Properties

• Compound Name: 4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+)
• PubChem CID: 153443159
• Molecular Formula: C39H34FN5OPd
• Molecular Weight: 714.15 g/mol
• Exact Mass: 713.18
• IUPAC Name: 4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+)
• SMILES: Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(F)ccn2)[c-]c(-n2nc(C)c(-c3c(C)cc(N(C)C)cc3C)c2C)c1.[Pd+2]
• InChI: InChI=1S/C39H34FN5O.Pd/c1-23-16-30(45-27(5)39(26(4)42-45)38-24(2)18-29(43(6)7)19-25(38)3)21-32(17-23)46-31-12-13-34-33-10-8-9-11-35(33)44(36(34)22-31)37-20-28(40)14-15-41-37;/h8-20H,1-7H3;/q-2;+2
• InChIKey: YPYDEJYVFZMMOF-UHFFFAOYSA-N
• XLogP: 9.17
• TPSA: 48.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.15
LogP ≤ 5	9.17
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 4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+)?

The IUPAC name of 4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+) (CID 153443159) is 4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+).

What is the SMILES notation for 4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+)?

The canonical SMILES for 4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+) is Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(F)ccn2)[c-]c(-n2nc(C)c(-c3c(C)cc(N(C)C)cc3C)c2C)c1.[Pd+2].

What is the InChIKey of 4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+)?

The InChIKey is YPYDEJYVFZMMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34FN5O.Pd/c1-23-16-30(45-27(5)39(26(4)42-45)38-24(2)18-29(43(6)7)19-25(38)3)21-32(17-23)46-31-12-13-34-33-10-8-9-11-35(33)44(36(34)22-31)37-20-28(40)14-15-41-37;/h8-20H,1-7H3;/q-2;+2.

What are the key properties of 4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+)?

4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+) has a molecular weight of 714.15 g/mol, XLogP of 9.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-methylbenzene-2-id-1-yl]-3,5-dimethylpyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+) is sourced from PubChem (CID 153443159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).