2-[3-[4-(2,6-dicyclohexyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C45H41FN4OPt — CID 153413611

About 2-[3-[4-(2,6-dicyclohexyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-(2,6-dicyclohexyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413611) has the molecular formula C45H41FN4OPt and a molecular weight of 867.93 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dicyclohexyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-dicyclohexyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413611
• Molecular Formula: C45H41FN4OPt
• Molecular Weight: 867.93 g/mol
• Exact Mass: 867.29
• IUPAC Name: 2-[3-[4-(2,6-dicyclohexyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(C2CCCCC2)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(F)ccn4)ccc3)c2)c(C2CCCCC2)c1.[Pt+2]
• InChI: InChI=1S/C45H41FN4O.Pt/c1-30-23-40(31-11-4-2-5-12-31)45(41(24-30)32-13-6-3-7-14-32)33-28-48-49(29-33)35-15-10-16-36(26-35)51-37-19-20-39-38-17-8-9-18-42(38)50(43(39)27-37)44-25-34(46)21-22-47-44;/h8-10,15-25,28-29,31-32H,2-7,11-14H2,1H3;/q-2;+2
• InChIKey: BHQOOSQBCGVAKD-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.93
LogP ≤ 5	11.96
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-dicyclohexyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(2,6-dicyclohexyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153413611) is 2-[3-[4-(2,6-dicyclohexyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[4-(2,6-dicyclohexyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1cc(C2CCCCC2)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(F)ccn4)ccc3)c2)c(C2CCCCC2)c1.[Pt+2].

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

The InChIKey is BHQOOSQBCGVAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H41FN4O.Pt/c1-30-23-40(31-11-4-2-5-12-31)45(41(24-30)32-13-6-3-7-14-32)33-28-48-49(29-33)35-15-10-16-36(26-35)51-37-19-20-39-38-17-8-9-18-42(38)50(43(39)27-37)44-25-34(46)21-22-47-44;/h8-10,15-25,28-29,31-32H,2-7,11-14H2,1H3;/q-2;+2.

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

2-[3-[4-(2,6-dicyclohexyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 867.93 g/mol, XLogP of 11.96, 7 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-dicyclohexyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).