bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane

C50H34N6Si — CID 153462912

IUPACbis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4n4c5ccccc5nc34)c2)c2cccc(-n3c4ccccc4n4c5ccccc5nc34)c2)cc1
InChIInChI=1S/C50H34N6Si/c1-3-19-37(20-4-1)57(38-21-5-2-6-22-38,39-23-15-17-35(33-39)53-45-29-11-13-31-47(45)55-43-27-9-7-25-41(43)51-49(53)55)40-24-16-18-36(34-40)54-46-30-12-14-32-48(46)56-44-28-10-8-26-42(44)52-50(54)56/h1-34H
InChIKeyJIJACDAUSUFXJS-UHFFFAOYSA-N
MW746.95 g/mol
LogP8.55
Rot. Bonds6

About bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane

bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane (PubChem CID 153462912) has the molecular formula C50H34N6Si and a molecular weight of 746.95 g/mol. Its IUPAC name is bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane.

Molecular Properties

Compound Namebis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
PubChem CID153462912
Molecular FormulaC50H34N6Si
Molecular Weight746.95 g/mol
Exact Mass746.26
IUPAC Namebis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4n4c5ccccc5nc34)c2)c2cccc(-n3c4ccccc4n4c5ccccc5nc34)c2)cc1
InChIInChI=1S/C50H34N6Si/c1-3-19-37(20-4-1)57(38-21-5-2-6-22-38,39-23-15-17-35(33-39)53-45-29-11-13-31-47(45)55-43-27-9-7-25-41(43)51-49(53)55)40-24-16-18-36(34-40)54-46-30-12-14-32-48(46)56-44-28-10-8-26-42(44)52-50(54)56/h1-34H
InChIKeyJIJACDAUSUFXJS-UHFFFAOYSA-N
XLogP8.55
TPSA44.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.95
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[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
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
CID 118429566
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-diphenylsilane;[6-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-triphenylsilane
CID 159297532
17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene
CID 138571403
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146631705
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[10,10-bis[tris(trideuteriomethyl)silyl]benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane
CID 168793011
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
CID 174068643
CID 174068643

Frequently Asked Questions

What is the IUPAC name of bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane?
The IUPAC name of bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane (CID 153462912) is bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane.
What is the SMILES notation for bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane?
The canonical SMILES for bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4n4c5ccccc5nc34)c2)c2cccc(-n3c4ccccc4n4c5ccccc5nc34)c2)cc1.
What is the InChIKey of bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane?
The InChIKey is JIJACDAUSUFXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N6Si/c1-3-19-37(20-4-1)57(38-21-5-2-6-22-38,39-23-15-17-35(33-39)53-45-29-11-13-31-47(45)55-43-27-9-7-25-41(43)51-49(53)55)40-24-16-18-36(34-40)54-46-30-12-14-32-48(46)56-44-28-10-8-26-42(44)52-50(54)56/h1-34H.
What are the key properties of bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane?
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane has a molecular weight of 746.95 g/mol, XLogP of 8.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane is sourced from PubChem (CID 153462912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).