[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum

C79H72N8Pt2Si2-2 — CID 161039001

IUPAC[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c([Si](C)(C)c4[c-]c(-n5[cH+]n(-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[2H]C([2H])([2H])n1[cH+]n(-c2[c-]c([Si](C)(C)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt].[Pt]
InChIInChI=1S/C42H37N4Si.C37H35N4Si.2Pt/c1-42(2,3)30-24-25-43-41(26-30)46-37-19-10-9-18-35(37)36-23-22-34(28-40(36)46)47(4,5)33-17-13-16-32(27-33)45-29-44(31-14-7-6-8-15-31)38-20-11-12-21-39(38)45;1-37(2,3)26-20-21-38-36(22-26)41-32-15-8-7-14-30(32)31-19-18-29(24-35(31)41)42(5,6)28-13-11-12-27(23-28)40-25-39(4)33-16-9-10-17-34(33)40;;/h6-26,29H,1-5H3;7-22,25H,1-6H3;;/q2*-1;;/i;4D3;;
InChIKeyUFDYGZNBZLLIMQ-VIEHMZBQSA-N
MW1582.85 g/mol
LogP16.37
Rot. Bonds10

About [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum

[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum (PubChem CID 161039001) has the molecular formula C79H72N8Pt2Si2-2 and a molecular weight of 1582.85 g/mol. Its IUPAC name is [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum.

Molecular Properties

Compound Name[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum
PubChem CID161039001
Molecular FormulaC79H72N8Pt2Si2-2
Molecular Weight1582.85 g/mol
Exact Mass1581.49
IUPAC Name[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c([Si](C)(C)c4[c-]c(-n5[cH+]n(-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[2H]C([2H])([2H])n1[cH+]n(-c2[c-]c([Si](C)(C)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt].[Pt]
InChIInChI=1S/C42H37N4Si.C37H35N4Si.2Pt/c1-42(2,3)30-24-25-43-41(26-30)46-37-19-10-9-18-35(37)36-23-22-34(28-40(36)46)47(4,5)33-17-13-16-32(27-33)45-29-44(31-14-7-6-8-15-31)38-20-11-12-21-39(38)45;1-37(2,3)26-20-21-38-36(22-26)41-32-15-8-7-14-30(32)31-19-18-29(24-35(31)41)42(5,6)28-13-11-12-27(23-28)40-25-39(4)33-16-9-10-17-34(33)40;;/h6-26,29H,1-5H3;7-22,25H,1-6H3;;/q2*-1;;/i;4D3;;
InChIKeyUFDYGZNBZLLIMQ-VIEHMZBQSA-N
XLogP16.37
TPSA55.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms91
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001582.85
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum?
The IUPAC name of [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum (CID 161039001) is [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum.
What is the SMILES notation for [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum?
The canonical SMILES for [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c([Si](C)(C)c4[c-]c(-n5[cH+]n(-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[2H]C([2H])([2H])n1[cH+]n(-c2[c-]c([Si](C)(C)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt].[Pt].
What is the InChIKey of [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum?
The InChIKey is UFDYGZNBZLLIMQ-VIEHMZBQSA-N. The full InChI is InChI=1S/C42H37N4Si.C37H35N4Si.2Pt/c1-42(2,3)30-24-25-43-41(26-30)46-37-19-10-9-18-35(37)36-23-22-34(28-40(36)46)47(4,5)33-17-13-16-32(27-33)45-29-44(31-14-7-6-8-15-31)38-20-11-12-21-39(38)45;1-37(2,3)26-20-21-38-36(22-26)41-32-15-8-7-14-30(32)31-19-18-29(24-35(31)41)42(5,6)28-13-11-12-27(23-28)40-25-39(4)33-16-9-10-17-34(33)40;;/h6-26,29H,1-5H3;7-22,25H,1-6H3;;/q2*-1;;/i;4D3;;.
What are the key properties of [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum?
[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum has a molecular weight of 1582.85 g/mol, XLogP of 16.37, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]silane;[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]silane;platinum is sourced from PubChem (CID 161039001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).