9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C51H54N4OPt — CID 153414754

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414754) has the molecular formula C51H54N4OPt and a molecular weight of 934.10 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414754
• Molecular Formula: C51H54N4OPt
• Molecular Weight: 934.10 g/mol
• Exact Mass: 933.39
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1c(C)c(C2CCCCC2)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c2)c(C2CCCCC2)c1C.[Pt+2]
• InChI: InChI=1S/C51H54N4O.Pt/c1-33-34(2)48(36-16-9-7-10-17-36)50(49(35(33)3)37-18-11-8-12-19-37)38-31-53-54(32-38)40-20-15-21-41(29-40)56-42-24-25-44-43-22-13-14-23-45(43)55(46(44)30-42)47-28-39(26-27-52-47)51(4,5)6;/h13-15,20-28,31-32,36-37H,7-12,16-19H2,1-6H3;/q-2;+2
• InChIKey: UVYTXYLYXLIIMG-UHFFFAOYSA-N
• XLogP: 13.74
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	934.10
LogP ≤ 5	13.74
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-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153414754) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is Cc1c(C)c(C2CCCCC2)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c2)c(C2CCCCC2)c1C.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is UVYTXYLYXLIIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H54N4O.Pt/c1-33-34(2)48(36-16-9-7-10-17-36)50(49(35(33)3)37-18-11-8-12-19-37)38-31-53-54(32-38)40-20-15-21-41(29-40)56-42-24-25-44-43-22-13-14-23-45(43)55(46(44)30-42)47-28-39(26-27-52-47)51(4,5)6;/h13-15,20-28,31-32,36-37H,7-12,16-19H2,1-6H3;/q-2;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 934.10 g/mol, XLogP of 13.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153414754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).