9-(4-tert-butyl-2-pyridinyl)-2-[3-methyl-5-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+)

C51H58N4OPt — CID 153441538

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-methyl-5-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441538) has the molecular formula C51H58N4OPt and a molecular weight of 938.13 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-methyl-5-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-methyl-5-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441538
• Molecular Formula: C51H58N4OPt
• Molecular Weight: 938.13 g/mol
• Exact Mass: 937.43
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-methyl-5-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(Oc2[c-]c3c(cc2)c2cc(C(C)C(C)C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-n2nc(C(C)C)c(-c3ccccc3)c2C(C)C)c1.[Pt+2]
• InChI: InChI=1S/C51H58N4O.Pt/c1-31(2)48-47(36-17-15-14-16-18-36)49(32(3)4)55(53-48)39-25-33(5)26-41(29-39)56-40-20-21-42-43-27-37(34(6)35(7)50(8,9)10)19-22-44(43)54(45(42)30-40)46-28-38(23-24-52-46)51(11,12)13;/h14-28,31-32,34-35H,1-13H3;/q-2;+2
• InChIKey: REIHWWDFBDCEOQ-UHFFFAOYSA-N
• XLogP: 14.06
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.13
LogP ≤ 5	14.06
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-methyl-5-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-methyl-5-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153441538) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-methyl-5-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-methyl-5-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+) is Cc1cc(Oc2[c-]c3c(cc2)c2cc(C(C)C(C)C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-n2nc(C(C)C)c(-c3ccccc3)c2C(C)C)c1.[Pt+2].

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

The InChIKey is REIHWWDFBDCEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H58N4O.Pt/c1-31(2)48-47(36-17-15-14-16-18-36)49(32(3)4)55(53-48)39-25-33(5)26-41(29-39)56-40-20-21-42-43-27-37(34(6)35(7)50(8,9)10)19-22-44(43)54(45(42)30-40)46-28-38(23-24-52-46)51(11,12)13;/h14-28,31-32,34-35H,1-13H3;/q-2;+2.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-methyl-5-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 938.13 g/mol, XLogP of 14.06, 9 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-methyl-5-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-6-(3,4,4-trimethylpentan-2-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).