triphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane

C42H32Si2 — CID 140775193

IUPACtriphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc([Si]3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C42H32Si2/c1-5-17-33(18-6-1)43(34-19-7-2-8-20-34,35-21-9-3-10-22-35)37-29-31-38(32-30-37)44(36-23-11-4-12-24-36)41-27-15-13-25-39(41)40-26-14-16-28-42(40)44/h1-32H
InChIKeyORBARSMHRUHWOR-UHFFFAOYSA-N
MW592.89 g/mol
LogP4.42
Rot. Bonds6

About triphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane

triphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane (PubChem CID 140775193) has the molecular formula C42H32Si2 and a molecular weight of 592.89 g/mol. Its IUPAC name is triphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane.

Molecular Properties

Compound Nametriphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane
PubChem CID140775193
Molecular FormulaC42H32Si2
Molecular Weight592.89 g/mol
Exact Mass592.20
IUPAC Nametriphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc([Si]3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C42H32Si2/c1-5-17-33(18-6-1)43(34-19-7-2-8-20-34,35-21-9-3-10-22-35)37-29-31-38(32-30-37)44(36-23-11-4-12-24-36)41-27-15-13-25-39(41)40-26-14-16-28-42(40)44/h1-32H
InChIKeyORBARSMHRUHWOR-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.89
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

5-(2-methylphenyl)-5-phenylbenzo[b][1]benzosilole
CID 58711206
N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline
CID 153426650
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline
CID 165050185
8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 59718161
2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine
CID 176643494
[4-[1-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166589033
[4-[2-[1-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588951
5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
CID 153488427
9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole
CID 164739104
[4-[1-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588926
[4-[2-[4-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588599
2-methyl-6-(5-phenylbenzo[b][1]benzosilol-5-yl)pyridine
CID 140560435

Frequently Asked Questions

What is the IUPAC name of triphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane?
The IUPAC name of triphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane (CID 140775193) is triphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane.
What is the SMILES notation for triphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane?
The canonical SMILES for triphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc([Si]3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of triphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane?
The InChIKey is ORBARSMHRUHWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32Si2/c1-5-17-33(18-6-1)43(34-19-7-2-8-20-34,35-21-9-3-10-22-35)37-29-31-38(32-30-37)44(36-23-11-4-12-24-36)41-27-15-13-25-39(41)40-26-14-16-28-42(40)44/h1-32H.
What are the key properties of triphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane?
triphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane has a molecular weight of 592.89 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane is sourced from PubChem (CID 140775193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).