9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C42H36N5OPt-3 — CID 176782738

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176782738) has the molecular formula C42H36N5OPt-3 and a molecular weight of 821.86 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 176782738
• Molecular Formula: C42H36N5OPt-3
• Molecular Weight: 821.86 g/mol
• Exact Mass: 821.26
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3cnccc32)c(C)c1.[Pt]
• InChI: InChI=1S/C42H36N5O.Pt/c1-27-20-28(2)41(29(3)21-27)46-26-45(39-25-43-18-17-37(39)46)31-10-9-11-32(23-31)48-33-14-15-35-34-12-7-8-13-36(34)47(38(35)24-33)40-22-30(16-19-44-40)42(4,5)6;/h7-22,25-26H,1-6H3;/q-3
• InChIKey: PAAHCWWQLYSMFS-UHFFFAOYSA-N
• XLogP: 10.60
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.86
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176782738) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-c]pyridin-2-id-3-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-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is Cc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3cnccc32)c(C)c1.[Pt].

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

The InChIKey is PAAHCWWQLYSMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N5O.Pt/c1-27-20-28(2)41(29(3)21-27)46-26-45(39-25-43-18-17-37(39)46)31-10-9-11-32(23-31)48-33-14-15-35-34-12-7-8-13-36(34)47(38(35)24-33)40-22-30(16-19-44-40)42(4,5)6;/h7-22,25-26H,1-6H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 821.86 g/mol, XLogP of 10.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176782738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).