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

C47H36N5OPt-3 — CID 155794721

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

3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-methyl-1-phenyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum (PubChem CID 155794721) has the molecular formula C47H36N5OPt-3 and a molecular weight of 881.92 g/mol. Its IUPAC name is 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-methyl-1-phenyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum.

Molecular Properties

• Compound Name: 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-methyl-1-phenyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum
• PubChem CID: 155794721
• Molecular Formula: C47H36N5OPt-3
• Molecular Weight: 881.92 g/mol
• Exact Mass: 881.26
• IUPAC Name: 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-methyl-1-phenyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum
• SMILES: Cn1c2ccccc2c2c3c(ccc21)N(c1[c-]c(Oc2[c-]c4c(cc2)c2ccccc2n4-c2cc(C(C)(C)C)ccn2)ccc1)[CH-]N3c1ccccc1.[Pt]
• InChI: InChI=1S/C47H36N5O.Pt/c1-47(2,3)31-25-26-48-44(27-31)52-40-20-11-8-17-36(40)37-22-21-35(29-43(37)52)53-34-16-12-15-33(28-34)50-30-51(32-13-6-5-7-14-32)46-42(50)24-23-41-45(46)38-18-9-10-19-39(38)49(41)4;/h5-27,30H,1-4H3;/q-3
• InChIKey: QRLNFWMRKZWIPN-UHFFFAOYSA-N
• XLogP: 11.92
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.92
LogP ≤ 5	11.92
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 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-methyl-1-phenyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum?

The IUPAC name of 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-methyl-1-phenyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum (CID 155794721) is 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-methyl-1-phenyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum.

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

The canonical SMILES for 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-methyl-1-phenyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum is Cn1c2ccccc2c2c3c(ccc21)N(c1[c-]c(Oc2[c-]c4c(cc2)c2ccccc2n4-c2cc(C(C)(C)C)ccn2)ccc1)[CH-]N3c1ccccc1.[Pt].

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

The InChIKey is QRLNFWMRKZWIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N5O.Pt/c1-47(2,3)31-25-26-48-44(27-31)52-40-20-11-8-17-36(40)37-22-21-35(29-43(37)52)53-34-16-12-15-33(28-34)50-30-51(32-13-6-5-7-14-32)46-42(50)24-23-41-45(46)38-18-9-10-19-39(38)49(41)4;/h5-27,30H,1-4H3;/q-3;.

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

3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-methyl-1-phenyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum has a molecular weight of 881.92 g/mol, XLogP of 11.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-methyl-1-phenyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum is sourced from PubChem (CID 155794721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).