2-[3-[5-tert-butyl-3-(4-tert-butyl-2-methylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C45H47N4OPt-3 — CID 155652428

About 2-[3-[5-tert-butyl-3-(4-tert-butyl-2-methylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-[5-tert-butyl-3-(4-tert-butyl-2-methylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 155652428) has the molecular formula C45H47N4OPt-3 and a molecular weight of 854.98 g/mol. Its IUPAC name is 2-[3-[5-tert-butyl-3-(4-tert-butyl-2-methylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[5-tert-butyl-3-(4-tert-butyl-2-methylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 155652428
• Molecular Formula: C45H47N4OPt-3
• Molecular Weight: 854.98 g/mol
• Exact Mass: 854.34
• IUPAC Name: 2-[3-[5-tert-butyl-3-(4-tert-butyl-2-methylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(C(C)(C)C)ccc1N1C=C(C(C)(C)C)N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)[CH-]1.[Pt]
• InChI: InChI=1S/C45H47N4O.Pt/c1-30-24-31(43(2,3)4)18-21-38(30)47-28-41(45(8,9)10)48(29-47)33-14-13-15-34(26-33)50-35-19-20-37-36-16-11-12-17-39(36)49(40(37)27-35)42-25-32(22-23-46-42)44(5,6)7;/h11-25,28-29H,1-10H3;/q-3
• InChIKey: PIKBNBZSKJHDGO-UHFFFAOYSA-N
• XLogP: 11.81
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.98
LogP ≤ 5	11.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-tert-butyl-3-(4-tert-butyl-2-methylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[5-tert-butyl-3-(4-tert-butyl-2-methylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 155652428) is 2-[3-[5-tert-butyl-3-(4-tert-butyl-2-methylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[5-tert-butyl-3-(4-tert-butyl-2-methylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is Cc1cc(C(C)(C)C)ccc1N1C=C(C(C)(C)C)N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)[CH-]1.[Pt].

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

The InChIKey is PIKBNBZSKJHDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H47N4O.Pt/c1-30-24-31(43(2,3)4)18-21-38(30)47-28-41(45(8,9)10)48(29-47)33-14-13-15-34(26-33)50-35-19-20-37-36-16-11-12-17-39(36)49(40(37)27-35)42-25-32(22-23-46-42)44(5,6)7;/h11-25,28-29H,1-10H3;/q-3;.

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

2-[3-[5-tert-butyl-3-(4-tert-butyl-2-methylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 854.98 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-tert-butyl-3-(4-tert-butyl-2-methylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155652428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).