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

C43H34N8OPt — CID 153415032

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

2-[3-tert-butyl-5-[4-phenyl-3,5-di(pyrazol-1-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415032) has the molecular formula C43H34N8OPt and a molecular weight of 873.88 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[4-phenyl-3,5-di(pyrazol-1-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[4-phenyl-3,5-di(pyrazol-1-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415032
• Molecular Formula: C43H34N8OPt
• Molecular Weight: 873.88 g/mol
• Exact Mass: 873.25
• IUPAC Name: 2-[3-tert-butyl-5-[4-phenyl-3,5-di(pyrazol-1-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(-n6cccn6)c(-c6ccccc6)c5-n5cccn5)cc(C(C)(C)C)c4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C43H34N8O.Pt/c1-29-18-21-44-39(24-29)50-37-15-9-8-14-35(37)36-17-16-33(28-38(36)50)52-34-26-31(43(2,3)4)25-32(27-34)51-42(49-23-11-20-46-49)40(30-12-6-5-7-13-30)41(47-51)48-22-10-19-45-48;/h5-26H,1-4H3;/q-2;+2
• InChIKey: KFPHJVLBQBNTRE-UHFFFAOYSA-N
• XLogP: 9.40
• TPSA: 80.51 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.88
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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

The IUPAC name of 2-[3-tert-butyl-5-[4-phenyl-3,5-di(pyrazol-1-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153415032) is 2-[3-tert-butyl-5-[4-phenyl-3,5-di(pyrazol-1-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-tert-butyl-5-[4-phenyl-3,5-di(pyrazol-1-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(-n6cccn6)c(-c6ccccc6)c5-n5cccn5)cc(C(C)(C)C)c4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is KFPHJVLBQBNTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N8O.Pt/c1-29-18-21-44-39(24-29)50-37-15-9-8-14-35(37)36-17-16-33(28-38(36)50)52-34-26-31(43(2,3)4)25-32(27-34)51-42(49-23-11-20-46-49)40(30-12-6-5-7-13-30)41(47-51)48-22-10-19-45-48;/h5-26H,1-4H3;/q-2;+2.

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

2-[3-tert-butyl-5-[4-phenyl-3,5-di(pyrazol-1-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 873.88 g/mol, XLogP of 9.40, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[4-phenyl-3,5-di(pyrazol-1-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).