2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C67H47N7OPt+2 — CID 168799520

About 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 168799520) has the molecular formula C67H47N7OPt+2 and a molecular weight of 1171.30 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 168799520
• Molecular Formula: C67H47N7OPt+2
• Molecular Weight: 1171.30 g/mol
• Exact Mass: 1170.41
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[N+]2=C=[N+](c3[c-]c(Oc4[c-]c5c(cc4-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c4ccccc4n5-c4ccccn4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[Pt+2]
• InChI: InChI=1S/C67H47N7O.Pt/c1-67(2,3)49-39-50(72-44-73(59-36-19-18-35-58(59)72)63-52(45-23-8-4-9-24-45)32-22-33-53(63)46-25-10-5-11-26-46)41-51(40-49)75-61-43-60-55(54-31-16-17-34-57(54)74(60)62-37-20-21-38-68-62)42-56(61)66-70-64(47-27-12-6-13-28-47)69-65(71-66)48-29-14-7-15-30-48;/h4-40,42H,1-3H3;/q;+2/i4D,5D,8D,9D,10D,11D,23D,24D,25D,26D
• InChIKey: UHIZICVTOWHTGZ-FRMCDXQTSA-N
• XLogP: 16.24
• TPSA: 71.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1171.30
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 168799520) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2[N+]2=C=[N+](c3[c-]c(Oc4[c-]c5c(cc4-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c4ccccc4n5-c4ccccn4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[Pt+2].

What is the InChIKey of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is UHIZICVTOWHTGZ-FRMCDXQTSA-N. The full InChI is InChI=1S/C67H47N7O.Pt/c1-67(2,3)49-39-50(72-44-73(59-36-19-18-35-58(59)72)63-52(45-23-8-4-9-24-45)32-22-33-53(63)46-25-10-5-11-26-46)41-51(40-49)75-61-43-60-55(54-31-16-17-34-57(54)74(60)62-37-20-21-38-68-62)42-56(61)66-70-64(47-27-12-6-13-28-47)69-65(71-66)48-29-14-7-15-30-48;/h4-40,42H,1-3H3;/q;+2/i4D,5D,8D,9D,10D,11D,23D,24D,25D,26D;.

What are the key properties of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1171.30 g/mol, XLogP of 16.24, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 168799520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).