[6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane

C61H43BOSi — CID 167695840

IUPAC[6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane
SMILESc1ccc(-c2cc(-c3cccc4c3oc3ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc34)cc(-c3ccccc3)c2B2c3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C61H43BOSi/c1-6-21-43(22-7-1)54-40-47(41-55(44-23-8-2-9-24-44)60(54)62-57-35-18-16-25-45(57)39-46-26-17-19-36-58(46)62)52-33-20-34-53-56-42-51(37-38-59(56)63-61(52)53)64(48-27-10-3-11-28-48,49-29-12-4-13-30-49)50-31-14-5-15-32-50/h1-38,40-42H,39H2
InChIKeyZPQRDNLQAABSEU-UHFFFAOYSA-N
MW830.91 g/mol
LogP10.38
Rot. Bonds8

About [6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane

[6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane (PubChem CID 167695840) has the molecular formula C61H43BOSi and a molecular weight of 830.91 g/mol. Its IUPAC name is [6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane
PubChem CID167695840
Molecular FormulaC61H43BOSi
Molecular Weight830.91 g/mol
Exact Mass830.32
IUPAC Name[6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane
SMILESc1ccc(-c2cc(-c3cccc4c3oc3ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc34)cc(-c3ccccc3)c2B2c3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C61H43BOSi/c1-6-21-43(22-7-1)54-40-47(41-55(44-23-8-2-9-24-44)60(54)62-57-35-18-16-25-45(57)39-46-26-17-19-36-58(46)62)52-33-20-34-53-56-42-51(37-38-59(56)63-61(52)53)64(48-27-10-3-11-28-48,49-29-12-4-13-30-49)50-31-14-5-15-32-50/h1-38,40-42H,39H2
InChIKeyZPQRDNLQAABSEU-UHFFFAOYSA-N
XLogP10.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.91
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

11-dibenzofuran-4-yl-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-nonaene
CID 140684270
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-triphenylsilylphenyl)aniline
CID 123964845
(3-bromo-5-dibenzofuran-4-ylphenyl)-triphenylsilane
CID 86700950
N,N-bis(4-naphthalen-1-ylphenyl)-3-(8-phenyldibenzofuran-2-yl)aniline;3-[diphenyl-[4-(6-phenyldibenzofuran-4-yl)phenyl]silyl]-N,N-bis(4-phenylphenyl)aniline;3-[diphenyl-[4-(6-phenyldibenzofuran-4-yl)phenyl]silyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(8-phenyldibenzofuran-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 159260478
[3-[2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
CID 123660624
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane
CID 159197890
2-phenyl-4-[4-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850254
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
2-[9-(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)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 163888577
[3-[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]phenyl]-triphenylsilane
CID 170925366
2-phenyl-4-[6-(4-phenylphenyl)dibenzofuran-2-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797229

Frequently Asked Questions

What is the IUPAC name of [6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane?
The IUPAC name of [6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane (CID 167695840) is [6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane.
What is the SMILES notation for [6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane?
The canonical SMILES for [6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane is c1ccc(-c2cc(-c3cccc4c3oc3ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc34)cc(-c3ccccc3)c2B2c3ccccc3Cc3ccccc32)cc1.
What is the InChIKey of [6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane?
The InChIKey is ZPQRDNLQAABSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43BOSi/c1-6-21-43(22-7-1)54-40-47(41-55(44-23-8-2-9-24-44)60(54)62-57-35-18-16-25-45(57)39-46-26-17-19-36-58(46)62)52-33-20-34-53-56-42-51(37-38-59(56)63-61(52)53)64(48-27-10-3-11-28-48,49-29-12-4-13-30-49)50-31-14-5-15-32-50/h1-38,40-42H,39H2.
What are the key properties of [6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane?
[6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane has a molecular weight of 830.91 g/mol, XLogP of 10.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(10H-benzo[b][1]benzoborinin-5-yl)-3,5-diphenylphenyl]dibenzofuran-2-yl]-triphenylsilane is sourced from PubChem (CID 167695840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).