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

C42H32N4OPt+2 — CID 86343608

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

2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(4+) (PubChem CID 86343608) has the molecular formula C42H32N4OPt+2 and a molecular weight of 803.82 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(4+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(4+)
• PubChem CID: 86343608
• Molecular Formula: C42H32N4OPt+2
• Molecular Weight: 803.82 g/mol
• Exact Mass: 803.22
• IUPAC Name: 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(4+)
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(-c3ccccc3)ccn2)[c-]c(-n2cc(-c3ccccc3)cn2)c1.[Pt+4]
• InChI: InChI=1S/C42H32N4O.Pt/c1-42(2,3)33-23-34(45-28-32(27-44-45)30-14-8-5-9-15-30)25-36(24-33)47-35-18-19-38-37-16-10-11-17-39(37)46(40(38)26-35)41-22-31(20-21-43-41)29-12-6-4-7-13-29;/h4-24,27-28H,1-3H3;/q-2;+4
• InChIKey: GOVZZXAWVCQLBO-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.82
LogP ≤ 5	10.39
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-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(4+)?

The IUPAC name of 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(4+) (CID 86343608) is 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(4+).

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

The canonical SMILES for 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(4+) is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(-c3ccccc3)ccn2)[c-]c(-n2cc(-c3ccccc3)cn2)c1.[Pt+4].

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

The InChIKey is GOVZZXAWVCQLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N4O.Pt/c1-42(2,3)33-23-34(45-28-32(27-44-45)30-14-8-5-9-15-30)25-36(24-33)47-35-18-19-38-37-16-10-11-17-39(37)46(40(38)26-35)41-22-31(20-21-43-41)29-12-6-4-7-13-29;/h4-24,27-28H,1-3H3;/q-2;+4.

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

2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(4+) has a molecular weight of 803.82 g/mol, XLogP of 10.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(4+) is sourced from PubChem (CID 86343608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).