[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane

C42H28N4OSi — CID 123160029

IUPAC[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cnc3oc4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc4c3c2)cc1
InChIInChI=1S/C42H28N4OSi/c1-4-14-30(15-5-1)48(31-16-6-2-7-17-31,32-18-8-3-9-19-32)33-27-35-34-26-29(24-25-40(34)47-41(35)43-28-33)45-38-22-12-13-23-39(38)46-37-21-11-10-20-36(37)44-42(45)46/h1-28H
InChIKeyJNAKIDSDPBUPOB-UHFFFAOYSA-N
MW632.80 g/mol
LogP7.10
Rot. Bonds5

About [6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane

[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane (PubChem CID 123160029) has the molecular formula C42H28N4OSi and a molecular weight of 632.80 g/mol. Its IUPAC name is [6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane.

Molecular Properties

Compound Name[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
PubChem CID123160029
Molecular FormulaC42H28N4OSi
Molecular Weight632.80 g/mol
Exact Mass632.20
IUPAC Name[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cnc3oc4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc4c3c2)cc1
InChIInChI=1S/C42H28N4OSi/c1-4-14-30(15-5-1)48(31-16-6-2-7-17-31,32-18-8-3-9-19-32)33-27-35-34-26-29(24-25-40(34)47-41(35)43-28-33)45-38-22-12-13-23-39(38)46-37-21-11-10-20-36(37)44-42(45)46/h1-28H
InChIKeyJNAKIDSDPBUPOB-UHFFFAOYSA-N
XLogP7.10
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.80
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine
CID 118329801
[6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
CID 156664880
[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
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
5-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 88958893
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493
3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 118243470
5-[8-(9-phenyl-9H-fluoren-3-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 121445257
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
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole
CID 134409735
[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

Frequently Asked Questions

What is the IUPAC name of [6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane?
The IUPAC name of [6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane (CID 123160029) is [6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane.
What is the SMILES notation for [6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane?
The canonical SMILES for [6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cnc3oc4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc4c3c2)cc1.
What is the InChIKey of [6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane?
The InChIKey is JNAKIDSDPBUPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4OSi/c1-4-14-30(15-5-1)48(31-16-6-2-7-17-31,32-18-8-3-9-19-32)33-27-35-34-26-29(24-25-40(34)47-41(35)43-28-33)45-38-22-12-13-23-39(38)46-37-21-11-10-20-36(37)44-42(45)46/h1-28H.
What are the key properties of [6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane?
[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane has a molecular weight of 632.80 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane is sourced from PubChem (CID 123160029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).