[7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+)

C62H39N7PtSi — CID 169077347

IUPAC[7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+)
SMILES[Pt+2].[c-]1c(-n2c3[c-]c(-n4c5ccccc5n5c6ccccc6nc45)ccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cccc1-n1c2ccccc2n2c3ccccc3nc12
InChIInChI=1S/C62H39N7Si.Pt/c1-4-21-45(22-5-1)70(46-23-6-2-7-24-46,47-25-8-3-9-26-47)48-36-38-53-50(41-48)49-37-35-44(67-57-32-15-17-34-59(57)69-55-30-13-11-28-52(55)64-62(67)69)40-60(49)65(53)42-19-18-20-43(39-42)66-56-31-14-16-33-58(56)68-54-29-12-10-27-51(54)63-61(66)68;/h1-38,41H;/q-2;+2
InChIKeyCOLCLSRQKGDZNG-UHFFFAOYSA-N
MW1105.21 g/mol
LogP11.25
Rot. Bonds7

About [7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+)

[7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+) (PubChem CID 169077347) has the molecular formula C62H39N7PtSi and a molecular weight of 1105.21 g/mol. Its IUPAC name is [7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+).

Molecular Properties

Compound Name[7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+)
PubChem CID169077347
Molecular FormulaC62H39N7PtSi
Molecular Weight1105.21 g/mol
Exact Mass1104.27
IUPAC Name[7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+)
SMILES[Pt+2].[c-]1c(-n2c3[c-]c(-n4c5ccccc5n5c6ccccc6nc45)ccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cccc1-n1c2ccccc2n2c3ccccc3nc12
InChIInChI=1S/C62H39N7Si.Pt/c1-4-21-45(22-5-1)70(46-23-6-2-7-24-46,47-25-8-3-9-26-47)48-36-38-53-50(41-48)49-37-35-44(67-57-32-15-17-34-59(57)69-55-30-13-11-28-52(55)64-62(67)69)40-60(49)65(53)42-19-18-20-43(39-42)66-56-31-14-16-33-58(56)68-54-29-12-10-27-51(54)63-61(66)68;/h1-38,41H;/q-2;+2
InChIKeyCOLCLSRQKGDZNG-UHFFFAOYSA-N
XLogP11.25
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.21
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)
CID 169077371
10-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-1,3,6,8,10-pentazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,8,11,13,15-heptaene;platinum(2+)
CID 169077337
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462949
[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 168826577
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493
[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-3-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-dibenzothiophen-2-yl-diphenylsilane
CID 174093587
9-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]carbazole-3-carbonitrile
CID 168826513
[9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane
CID 174093191
platinum(2+);22-[3-[3-(1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaen-22-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,20,22-triazahexacyclo[19.7.0.02,7.08,13.014,19.023,28]octacosa-2,4,6,8,10,12,14,16,18,20,23,25,27-tridecaene
CID 171747120
[2-[2-[6-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-2-pyridinyl]benzimidazolo[1,2-a]benzimidazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]-6-carbazol-9-yl-4-pyridinyl]-dibenzothiophen-2-yl-diphenylsilane
CID 174093669

Frequently Asked Questions

What is the IUPAC name of [7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+)?
The IUPAC name of [7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+) (CID 169077347) is [7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+).
What is the SMILES notation for [7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+)?
The canonical SMILES for [7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+) is [Pt+2].[c-]1c(-n2c3[c-]c(-n4c5ccccc5n5c6ccccc6nc45)ccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cccc1-n1c2ccccc2n2c3ccccc3nc12.
What is the InChIKey of [7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+)?
The InChIKey is COLCLSRQKGDZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N7Si.Pt/c1-4-21-45(22-5-1)70(46-23-6-2-7-24-46,47-25-8-3-9-26-47)48-36-38-53-50(41-48)49-37-35-44(67-57-32-15-17-34-59(57)69-55-30-13-11-28-52(55)64-62(67)69)40-60(49)65(53)42-19-18-20-43(39-42)66-56-31-14-16-33-58(56)68-54-29-12-10-27-51(54)63-61(66)68;/h1-38,41H;/q-2;+2.
What are the key properties of [7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+)?
[7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+) has a molecular weight of 1105.21 g/mol, XLogP of 11.25, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-2-id-1-yl]-8H-carbazol-8-id-3-yl]-triphenylsilane;platinum(2+) is sourced from PubChem (CID 169077347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).