9-(4-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)

C50H56N4OPd — CID 153443408

About 9-(4-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)

9-(4-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443408) has the molecular formula C50H56N4OPd and a molecular weight of 835.44 g/mol. Its IUPAC name is 9-(4-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 9-(4-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443408
• Molecular Formula: C50H56N4OPd
• Molecular Weight: 835.44 g/mol
• Exact Mass: 834.35
• IUPAC Name: 9-(4-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C(C)C)cc(C(C)C)cc6C(C)C)c5C)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pd+2]
• InChI: InChI=1S/C50H56N4O.Pd/c1-12-13-16-36-21-22-51-48(23-36)53-46-18-15-14-17-42(46)43-20-19-40(29-47(43)53)55-41-25-37(30(2)3)24-39(28-41)54-35(11)49(34(10)52-54)50-44(32(6)7)26-38(31(4)5)27-45(50)33(8)9;/h14-15,17-27,30-33H,12-13,16H2,1-11H3;/q-2;+2
• InChIKey: FNDXYZDIRDIZLP-UHFFFAOYSA-N
• XLogP: 13.87
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.44
LogP ≤ 5	13.87
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-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 9-(4-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) (CID 153443408) is 9-(4-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 9-(4-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) is CCCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C(C)C)cc(C(C)C)cc6C(C)C)c5C)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pd+2].

What is the InChIKey of 9-(4-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)?

The InChIKey is FNDXYZDIRDIZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H56N4O.Pd/c1-12-13-16-36-21-22-51-48(23-36)53-46-18-15-14-17-42(46)43-20-19-40(29-47(43)53)55-41-25-37(30(2)3)24-39(28-41)54-35(11)49(34(10)52-54)50-44(32(6)7)26-38(31(4)5)27-45(50)33(8)9;/h14-15,17-27,30-33H,12-13,16H2,1-11H3;/q-2;+2.

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

9-(4-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 835.44 g/mol, XLogP of 13.87, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153443408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).