2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C54H42N4OPt-2 — CID 164931734

About 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 164931734) has the molecular formula C54H42N4OPt-2 and a molecular weight of 974.13 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 164931734
• Molecular Formula: C54H42N4OPt-2
• Molecular Weight: 974.13 g/mol
• Exact Mass: 973.40
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• 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)c4ccccc4n5-c4cc(C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C54H42N4O.Pt/c1-36-29-52(55-34-37(36)2)58-48-24-13-12-21-46(48)47-28-27-42(33-51(47)58)59-43-31-40(54(3,4)5)30-41(32-43)56-35-57(50-26-15-14-25-49(50)56)53-44(38-17-8-6-9-18-38)22-16-23-45(53)39-19-10-7-11-20-39;/h6-31,34H,1-5H3;/q-2;/i1D3,2D3,6D,7D,8D,9D,10D,11D,17D,18D,19D,20D
• InChIKey: UBHQLDBSRMVBCK-GBGGNNRJSA-N
• XLogP: 12.84
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.13
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 164931734) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum 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)c4ccccc4n5-c4cc(C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is UBHQLDBSRMVBCK-GBGGNNRJSA-N. The full InChI is InChI=1S/C54H42N4O.Pt/c1-36-29-52(55-34-37(36)2)58-48-24-13-12-21-46(48)47-28-27-42(33-51(47)58)59-43-31-40(54(3,4)5)30-41(32-43)56-35-57(50-26-15-14-25-49(50)56)53-44(38-17-8-6-9-18-38)22-16-23-45(53)39-19-10-7-11-20-39;/h6-31,34H,1-5H3;/q-2;/i1D3,2D3,6D,7D,8D,9D,10D,11D,17D,18D,19D,20D;.

What are the key properties of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 974.13 g/mol, XLogP of 12.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 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]-2H-benzimidazol-3-ium-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164931734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).