2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C59H54N7OPt-3 — CID 168799567

About 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 168799567) has the molecular formula C59H54N7OPt-3 and a molecular weight of 1082.27 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 168799567
• Molecular Formula: C59H54N7OPt-3
• Molecular Weight: 1082.27 g/mol
• Exact Mass: 1081.47
• IUPAC Name: 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(C(C)(C)C)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2C=CN(c3[c-]c(Oc4[c-]c5c(cc4-c4nc(C(C)(C)C)nc(C(C)(C)C)n4)c4ccccc4n5-c4ccccn4)ccc3)[CH-]2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C59H54N7O.Pt/c1-57(2,3)41-33-45(39-21-12-10-13-22-39)53(46(34-41)40-23-14-11-15-24-40)65-32-31-64(38-65)42-25-20-26-43(35-42)67-51-37-50-47(44-27-16-17-28-49(44)66(50)52-29-18-19-30-60-52)36-48(51)54-61-55(58(4,5)6)63-56(62-54)59(7,8)9;/h10-34,36,38H,1-9H3;/q-3;/i10D,11D,12D,13D,14D,15D,21D,22D,23D,24D
• InChIKey: VVGFRNIKQROFCV-YLTSQHMYSA-N
• XLogP: 14.56
• TPSA: 72.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1082.27
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 168799567) is 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cc(C(C)(C)C)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2C=CN(c3[c-]c(Oc4[c-]c5c(cc4-c4nc(C(C)(C)C)nc(C(C)(C)C)n4)c4ccccc4n5-c4ccccn4)ccc3)[CH-]2)c([2H])c1[2H].[Pt].

What is the InChIKey of 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is VVGFRNIKQROFCV-YLTSQHMYSA-N. The full InChI is InChI=1S/C59H54N7O.Pt/c1-57(2,3)41-33-45(39-21-12-10-13-22-39)53(46(34-41)40-23-14-11-15-24-40)65-32-31-64(38-65)42-25-20-26-43(35-42)67-51-37-50-47(44-27-16-17-28-49(44)66(50)52-29-18-19-30-60-52)36-48(51)54-61-55(58(4,5)6)63-56(62-54)59(7,8)9;/h10-34,36,38H,1-9H3;/q-3;/i10D,11D,12D,13D,14D,15D,21D,22D,23D,24D;.

What are the key properties of 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1082.27 g/mol, XLogP of 14.56, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168799567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).