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

C43H41FN4OPt — CID 153415009

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

9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415009) has the molecular formula C43H41FN4OPt and a molecular weight of 843.90 g/mol. Its IUPAC name is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415009
• Molecular Formula: C43H41FN4OPt
• Molecular Weight: 843.90 g/mol
• Exact Mass: 843.29
• IUPAC Name: 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1c(C)c(CC(C)C)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(F)ccn4)ccc3)c2)c(CC(C)C)c1C.[Pt+2]
• InChI: InChI=1S/C43H41FN4O.Pt/c1-26(2)19-38-29(6)28(5)30(7)39(20-27(3)4)43(38)31-24-46-47(25-31)33-11-10-12-34(22-33)49-35-15-16-37-36-13-8-9-14-40(36)48(41(37)23-35)42-21-32(44)17-18-45-42;/h8-18,21,24-27H,19-20H2,1-7H3;/q-2;+2
• InChIKey: SKTSCNWQLFPYJP-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.90
LogP ≤ 5	10.88
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-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153415009) is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

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

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

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

The InChIKey is SKTSCNWQLFPYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H41FN4O.Pt/c1-26(2)19-38-29(6)28(5)30(7)39(20-27(3)4)43(38)31-24-46-47(25-31)33-11-10-12-34(22-33)49-35-15-16-37-36-13-8-9-14-40(36)48(41(37)23-35)42-21-32(44)17-18-45-42;/h8-18,21,24-27H,19-20H2,1-7H3;/q-2;+2.

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

9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 843.90 g/mol, XLogP of 10.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).