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

C48H52N4OPt — CID 153442423

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(6-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153442423) has the molecular formula C48H52N4OPt and a molecular weight of 896.05 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(6-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(6-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153442423
• Molecular Formula: C48H52N4OPt
• Molecular Weight: 896.05 g/mol
• Exact Mass: 895.38
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(6-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)CCCC(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c(CC)c1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C48H52N4O.Pt/c1-9-42-47(34-18-12-11-13-19-34)43(10-2)52(50-42)37-20-15-21-38(30-37)53-39-23-24-40-41-28-35(33(5)17-14-16-32(3)4)22-25-44(41)51(45(40)31-39)46-29-36(26-27-49-46)48(6,7)8;/h11-13,15,18-29,32-33H,9-10,14,16-17H2,1-8H3;/q-2;+2
• InChIKey: AZLWFSIUOURGDR-UHFFFAOYSA-N
• XLogP: 12.77
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.05
LogP ≤ 5	12.77
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-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(6-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(6-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153442423) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(6-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(6-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+) is CCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)CCCC(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c(CC)c1-c1ccccc1.[Pt+2].

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

The InChIKey is AZLWFSIUOURGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52N4O.Pt/c1-9-42-47(34-18-12-11-13-19-34)43(10-2)52(50-42)37-20-15-21-38(30-37)53-39-23-24-40-41-28-35(33(5)17-14-16-32(3)4)22-25-44(41)51(45(40)31-39)46-29-36(26-27-49-46)48(6,7)8;/h11-13,15,18-29,32-33H,9-10,14,16-17H2,1-8H3;/q-2;+2.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(6-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 896.05 g/mol, XLogP of 12.77, 12 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-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(6-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153442423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).