2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole

C60H42Si — CID 58971395

IUPAC2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc3[Si]4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C60H42Si/c1-7-19-43(20-8-1)49-35-50(44-21-9-2-10-22-44)38-53(37-49)47-31-33-59-57(41-47)58-42-48(32-34-60(58)61(59,55-27-15-5-16-28-55)56-29-17-6-18-30-56)54-39-51(45-23-11-3-12-24-45)36-52(40-54)46-25-13-4-14-26-46/h1-42H
InChIKeyYAVMGDVMEQUWOU-UHFFFAOYSA-N
MW791.08 g/mol
LogP13.05
Rot. Bonds8

About 2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole

2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole (PubChem CID 58971395) has the molecular formula C60H42Si and a molecular weight of 791.08 g/mol. Its IUPAC name is 2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole
PubChem CID58971395
Molecular FormulaC60H42Si
Molecular Weight791.08 g/mol
Exact Mass790.31
IUPAC Name2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc3[Si]4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C60H42Si/c1-7-19-43(20-8-1)49-35-50(44-21-9-2-10-22-44)38-53(37-49)47-31-33-59-57(41-47)58-42-48(32-34-60(58)61(59,55-27-15-5-16-28-55)56-29-17-6-18-30-56)54-39-51(45-23-11-3-12-24-45)36-52(40-54)46-25-13-4-14-26-46/h1-42H
InChIKeyYAVMGDVMEQUWOU-UHFFFAOYSA-N
XLogP13.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.08
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155787067
N-[4-(2-fluoro-5,5-diphenylbenzo[b][1]benzosilol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenylbenzo[b][1]benzosilol-2-yl)phenyl]aniline
CID 161250382
N-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-4-phenyl-N-(4-triphenylen-2-ylphenyl)aniline
CID 140719487
2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene
CID 177091653
5,5-diphenyl-2,8-bis(2,4,6-trimethylphenyl)benzo[b][1]benzosilole
CID 177091641
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
CID 160908481
N-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 140728891
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033
18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
CID 140872102

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole?
The IUPAC name of 2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole (CID 58971395) is 2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole.
What is the SMILES notation for 2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole?
The canonical SMILES for 2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc3[Si]4(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole?
The InChIKey is YAVMGDVMEQUWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42Si/c1-7-19-43(20-8-1)49-35-50(44-21-9-2-10-22-44)38-53(37-49)47-31-33-59-57(41-47)58-42-48(32-34-60(58)61(59,55-27-15-5-16-28-55)56-29-17-6-18-30-56)54-39-51(45-23-11-3-12-24-45)36-52(40-54)46-25-13-4-14-26-46/h1-42H.
What are the key properties of 2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole?
2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole has a molecular weight of 791.08 g/mol, XLogP of 13.05, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(3,5-diphenylphenyl)-5,5-diphenylbenzo[b][1]benzosilole is sourced from PubChem (CID 58971395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).