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

C46H48N4OPt — CID 153441887

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

6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441887) has the molecular formula C46H48N4OPt and a molecular weight of 868.00 g/mol. Its IUPAC name is 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441887
• Molecular Formula: C46H48N4OPt
• Molecular Weight: 868.00 g/mol
• Exact Mass: 867.35
• IUPAC Name: 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c(CCC)c1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C46H48N4O.Pt/c1-9-15-39-44(31-17-12-11-13-18-31)41(16-10-2)50(48-39)34-19-14-20-35(29-34)51-36-22-23-37-38-27-32(45(3,4)5)21-24-40(38)49(42(37)30-36)43-28-33(25-26-47-43)46(6,7)8;/h11-14,17-28H,9-10,15-16H2,1-8H3;/q-2;+2
• InChIKey: SMZSVRXOJVYNEV-UHFFFAOYSA-N
• XLogP: 11.92
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.00
LogP ≤ 5	11.92
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 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153441887) is 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c(CCC)c1-c1ccccc1.[Pt+2].

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

The InChIKey is SMZSVRXOJVYNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N4O.Pt/c1-9-15-39-44(31-17-12-11-13-18-31)41(16-10-2)50(48-39)34-19-14-20-35(29-34)51-36-22-23-37-38-27-32(45(3,4)5)21-24-40(38)49(42(37)30-36)43-28-33(25-26-47-43)46(6,7)8;/h11-14,17-28H,9-10,15-16H2,1-8H3;/q-2;+2.

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

6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 868.00 g/mol, XLogP of 11.92, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).