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

C51H58N4OPt — CID 153441693

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

2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(6,6-dimethylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441693) has the molecular formula C51H58N4OPt and a molecular weight of 938.13 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(6,6-dimethylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(6,6-dimethylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441693
• Molecular Formula: C51H58N4OPt
• Molecular Weight: 938.13 g/mol
• Exact Mass: 937.43
• IUPAC Name: 2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(6,6-dimethylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)CCCC(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C51H58N4O.Pt/c1-33(17-16-25-49(4,5)6)37-20-23-45-44(27-37)43-22-21-41(32-46(43)54(45)47-30-38(24-26-52-47)50(7,8)9)56-42-29-39(51(10,11)12)28-40(31-42)55-35(3)48(34(2)53-55)36-18-14-13-15-19-36;/h13-15,18-24,26-30,33H,16-17,25H2,1-12H3;/q-2;+2
• InChIKey: HTIWKTMBEPGADJ-UHFFFAOYSA-N
• XLogP: 13.95
• 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	13.95
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-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(6,6-dimethylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(6,6-dimethylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153441693) is 2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(6,6-dimethylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(6,6-dimethylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+) is Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)CCCC(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2].

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

The InChIKey is HTIWKTMBEPGADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H58N4O.Pt/c1-33(17-16-25-49(4,5)6)37-20-23-45-44(27-37)43-22-21-41(32-46(43)54(45)47-30-38(24-26-52-47)50(7,8)9)56-42-29-39(51(10,11)12)28-40(31-42)55-35(3)48(34(2)53-55)36-18-14-13-15-19-36;/h13-15,18-24,26-30,33H,16-17,25H2,1-12H3;/q-2;+2.

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

2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(6,6-dimethylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 938.13 g/mol, XLogP of 13.95, 9 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-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(6,6-dimethylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).