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

C47H36N5OPt-3 — CID 155794664

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

1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-9-methyl-3-phenyl-2H-imidazo[4,5-b]carbazol-2-ide;platinum (PubChem CID 155794664) has the molecular formula C47H36N5OPt-3 and a molecular weight of 881.92 g/mol. Its IUPAC name is 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-9-methyl-3-phenyl-2H-imidazo[4,5-b]carbazol-2-ide;platinum.

Molecular Properties

• Compound Name: 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-9-methyl-3-phenyl-2H-imidazo[4,5-b]carbazol-2-ide;platinum
• PubChem CID: 155794664
• Molecular Formula: C47H36N5OPt-3
• Molecular Weight: 881.92 g/mol
• Exact Mass: 881.26
• IUPAC Name: 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-9-methyl-3-phenyl-2H-imidazo[4,5-b]carbazol-2-ide;platinum
• SMILES: Cn1c2ccccc2c2cc3c(cc21)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)31-23-24-48-46(25-31)52-41-20-11-9-17-36(41)38-22-21-35(27-43(38)52)53-34-16-12-15-33(26-34)51-30-50(32-13-6-5-7-14-32)44-28-39-37-18-8-10-19-40(37)49(4)42(39)29-45(44)51;/h5-25,28-30H,1-4H3;/q-3
• InChIKey: JZBVIYBACAGISJ-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 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-9-methyl-3-phenyl-2H-imidazo[4,5-b]carbazol-2-ide;platinum?

The IUPAC name of 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-9-methyl-3-phenyl-2H-imidazo[4,5-b]carbazol-2-ide;platinum (CID 155794664) is 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-9-methyl-3-phenyl-2H-imidazo[4,5-b]carbazol-2-ide;platinum.

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

The canonical SMILES for 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-9-methyl-3-phenyl-2H-imidazo[4,5-b]carbazol-2-ide;platinum is Cn1c2ccccc2c2cc3c(cc21)N(c1[c-]c(Oc2[c-]c4c(cc2)c2ccccc2n4-c2cc(C(C)(C)C)ccn2)ccc1)[CH-]N3c1ccccc1.[Pt].

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

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

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

1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-9-methyl-3-phenyl-2H-imidazo[4,5-b]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 1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-9-methyl-3-phenyl-2H-imidazo[4,5-b]carbazol-2-ide;platinum is sourced from PubChem (CID 155794664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).