2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene

C48H30S2Si — CID 177091653

IUPAC2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene
SMILESc1ccc([Si]2(c3ccccc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3-c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C48H30S2Si/c1-3-11-35(12-4-1)51(36-13-5-2-6-14-36)47-25-21-33(31-19-23-45-39(27-31)37-15-7-9-17-43(37)49-45)29-41(47)42-30-34(22-26-48(42)51)32-20-24-46-40(28-32)38-16-8-10-18-44(38)50-46/h1-30H
InChIKeyMJGVWFSEQPNICR-UHFFFAOYSA-N
MW698.99 g/mol
LogP11.11
Rot. Bonds4

About 2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene

2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene (PubChem CID 177091653) has the molecular formula C48H30S2Si and a molecular weight of 698.99 g/mol. Its IUPAC name is 2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene.

Molecular Properties

Compound Name2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene
PubChem CID177091653
Molecular FormulaC48H30S2Si
Molecular Weight698.99 g/mol
Exact Mass698.16
IUPAC Name2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene
SMILESc1ccc([Si]2(c3ccccc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3-c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C48H30S2Si/c1-3-11-35(12-4-1)51(36-13-5-2-6-14-36)47-25-21-33(31-19-23-45-39(27-31)37-15-7-9-17-43(37)49-45)29-41(47)42-30-34(22-26-48(42)51)32-20-24-46-40(28-32)38-16-8-10-18-44(38)50-46/h1-30H
InChIKeyMJGVWFSEQPNICR-UHFFFAOYSA-N
XLogP11.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.99
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 156664113
2-(4-dibenzothiophen-2-ylphenyl)-9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-1,10-phenanthroline
CID 90050302
2-N-dibenzothiophen-2-yl-8-N,8-N,5,5-tetraphenyl-2-N-(4-pyridin-3-ylphenyl)benzo[b][1]benzosilole-2,8-diamine
CID 156664139
2-(40-tetradecacyclo[42.16.0.02,19.04,17.05,10.011,16.020,37.022,35.023,28.029,34.038,43.046,59.047,52.053,58]hexaconta-1(44),2(19),3,5,7,9,11,13,15,17,20(37),21,23,25,27,29,31,33,35,38(43),39,41,45,47,49,51,53,55,57,59-triacontaenyl)dibenzothiophene
CID 134429068
14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 147689872
9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole
CID 177291198
2-(7-dibenzothiophen-2-yl-9,10-diphenylanthracen-2-yl)dibenzothiophene
CID 59745938
9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
CID 158495157
2-(4-iodophenyl)dibenzothiophene
CID 118465203
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288
2-[3-[7-(3-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene
CID 118490703
2,5-di(dibenzothiophen-2-yl)benzene-1,4-diol
CID 169075776

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene?
The IUPAC name of 2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene (CID 177091653) is 2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene.
What is the SMILES notation for 2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene?
The canonical SMILES for 2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene is c1ccc([Si]2(c3ccccc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3-c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of 2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene?
The InChIKey is MJGVWFSEQPNICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30S2Si/c1-3-11-35(12-4-1)51(36-13-5-2-6-14-36)47-25-21-33(31-19-23-45-39(27-31)37-15-7-9-17-43(37)49-45)29-41(47)42-30-34(22-26-48(42)51)32-20-24-46-40(28-32)38-16-8-10-18-44(38)50-46/h1-30H.
What are the key properties of 2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene?
2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene has a molecular weight of 698.99 g/mol, XLogP of 11.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene is sourced from PubChem (CID 177091653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).