[3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-tris(2,3,4,5,6-pentadeuteriophenyl)silyl-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

C86H70N4OPtSi2-2 — CID 171426762

About [3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-tris(2,3,4,5,6-pentadeuteriophenyl)silyl-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

[3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-tris(2,3,4,5,6-pentadeuteriophenyl)silyl-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (PubChem CID 171426762) has the molecular formula C86H70N4OPtSi2-2 and a molecular weight of 1456.97 g/mol. Its IUPAC name is [3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-tris(2,3,4,5,6-pentadeuteriophenyl)silyl-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

Molecular Properties

• Compound Name: [3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-tris(2,3,4,5,6-pentadeuteriophenyl)silyl-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• PubChem CID: 171426762
• Molecular Formula: C86H70N4OPtSi2-2
• Molecular Weight: 1456.97 g/mol
• Exact Mass: 1455.66
• IUPAC Name: [3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-tris(2,3,4,5,6-pentadeuteriophenyl)silyl-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• SMILES: [2H]c1c([2H])c([2H])c([Si](c2ccc3c(c2)n(-c2[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc2)[c-][n+]3-c2c(-c3cccc(C(C)(C)C)c3)cccc2[Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C86H70N4OSi2.Pt/c1-85(2,3)63-31-27-30-62(56-63)75-47-29-49-82(93(71-40-19-10-20-41-71,72-42-21-11-22-43-72)73-44-23-12-24-45-73)84(75)89-61-88(81-60-74(51-53-79(81)89)92(68-34-13-7-14-35-68,69-36-15-8-16-37-69)70-38-17-9-18-39-70)65-32-28-33-66(58-65)91-67-50-52-77-76-46-25-26-48-78(76)90(80(77)59-67)83-57-64(54-55-87-83)86(4,5)6;/h7-57,60H,1-6H3;/q-2;/i7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,34D,35D,36D,37D,38D,39D,40D,41D,42D,43D,44D,45D
• InChIKey: NHWMQYFHXSJNEC-DDWPRCNISA-N
• XLogP: 14.61
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1456.97
LogP ≤ 5	14.61
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-tris(2,3,4,5,6-pentadeuteriophenyl)silyl-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The IUPAC name of [3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-tris(2,3,4,5,6-pentadeuteriophenyl)silyl-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (CID 171426762) is [3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-tris(2,3,4,5,6-pentadeuteriophenyl)silyl-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

What is the SMILES notation for [3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-tris(2,3,4,5,6-pentadeuteriophenyl)silyl-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The canonical SMILES for [3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-tris(2,3,4,5,6-pentadeuteriophenyl)silyl-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is [2H]c1c([2H])c([2H])c([Si](c2ccc3c(c2)n(-c2[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc2)[c-][n+]3-c2c(-c3cccc(C(C)(C)C)c3)cccc2[Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[Pt].

What is the InChIKey of [3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-tris(2,3,4,5,6-pentadeuteriophenyl)silyl-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The InChIKey is NHWMQYFHXSJNEC-DDWPRCNISA-N. The full InChI is InChI=1S/C86H70N4OSi2.Pt/c1-85(2,3)63-31-27-30-62(56-63)75-47-29-49-82(93(71-40-19-10-20-41-71,72-42-21-11-22-43-72)73-44-23-12-24-45-73)84(75)89-61-88(81-60-74(51-53-79(81)89)92(68-34-13-7-14-35-68,69-36-15-8-16-37-69)70-38-17-9-18-39-70)65-32-28-33-66(58-65)91-67-50-52-77-76-46-25-26-48-78(76)90(80(77)59-67)83-57-64(54-55-87-83)86(4,5)6;/h7-57,60H,1-6H3;/q-2;/i7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,34D,35D,36D,37D,38D,39D,40D,41D,42D,43D,44D,45D;.

What are the key properties of [3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-tris(2,3,4,5,6-pentadeuteriophenyl)silyl-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

[3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-tris(2,3,4,5,6-pentadeuteriophenyl)silyl-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum has a molecular weight of 1456.97 g/mol, XLogP of 14.61, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-tris(2,3,4,5,6-pentadeuteriophenyl)silyl-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is sourced from PubChem (CID 171426762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).