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

C37H28N3OPt-3 — CID 168848314

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 168848314) has the molecular formula C37H28N3OPt-3 and a molecular weight of 725.73 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 168848314
• Molecular Formula: C37H28N3OPt-3
• Molecular Weight: 725.73 g/mol
• Exact Mass: 725.19
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-]cc(-c6ccccc6)c5)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C37H28N3O.Pt/c1-37(2,3)28-18-20-38-36(22-28)40-34-15-8-7-14-32(34)33-17-16-31(24-35(33)40)41-30-13-9-12-29(23-30)39-21-19-27(25-39)26-10-5-4-6-11-26;/h4-20,22,25H,1-3H3;/q-3
• InChIKey: OHSWJEWQQSHLQG-UHFFFAOYSA-N
• XLogP: 9.12
• TPSA: 31.98 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.73
LogP ≤ 5	9.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-(4-phenyl-2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 168848314) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-]cc(-c6ccccc6)c5)ccc4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is OHSWJEWQQSHLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N3O.Pt/c1-37(2,3)28-18-20-38-36(22-28)40-34-15-8-7-14-32(34)33-17-16-31(24-35(33)40)41-30-13-9-12-29(23-30)39-21-19-27(25-39)26-10-5-4-6-11-26;/h4-20,22,25H,1-3H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 725.73 g/mol, XLogP of 9.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168848314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).