(3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid

C126H88B6O12S6 — CID 161372095

IUPAC(3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid
SMILESOB(O)c1cc(-c2cccc3c2sc2ccccc23)cc2ccccc12.OB(O)c1cc(-c2ccccc2)cc(-c2cccc3c2sc2ccccc23)c1.OB(O)c1ccc(-c2cccc3c2sc2ccccc23)c2ccccc12.OB(O)c1ccc(-c2cccc3c2sc2ccccc23)cc1.OB(O)c1cccc(-c2cccc3c2sc2ccccc23)c1.OB(O)c1cccc2c(-c3cccc4c3sc3ccccc34)cccc12
InChIInChI=1S/C24H17BO2S.3C22H15BO2S.2C18H13BO2S/c26-25(27)19-14-17(16-7-2-1-3-8-16)13-18(15-19)20-10-6-11-22-21-9-4-5-12-23(21)28-24(20)22;24-23(25)20-12-5-8-14-15(7-3-9-16(14)20)18-10-4-11-19-17-6-1-2-13-21(17)26-22(18)19;24-23(25)20-13-15(12-14-6-1-2-7-16(14)20)17-9-5-10-19-18-8-3-4-11-21(18)26-22(17)19;24-23(25)20-13-12-15(14-6-1-2-7-16(14)20)18-9-5-10-19-17-8-3-4-11-21(17)26-22(18)19;20-19(21)13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)22-18(14)16;20-19(21)13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)22-18(14)16/h1-15,26-27H;3*1-13,24-25H;2*1-11,20-21H
InChIKeyVQPARRIPMKJQBO-UHFFFAOYSA-N
MW2051.35 g/mol
LogP25.53
Rot. Bonds13

About (3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid

(3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid (PubChem CID 161372095) has the molecular formula C126H88B6O12S6 and a molecular weight of 2051.35 g/mol. Its IUPAC name is (3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid.

Molecular Properties

Compound Name(3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid
PubChem CID161372095
Molecular FormulaC126H88B6O12S6
Molecular Weight2051.35 g/mol
Exact Mass2050.52
IUPAC Name(3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid
SMILESOB(O)c1cc(-c2cccc3c2sc2ccccc23)cc2ccccc12.OB(O)c1cc(-c2ccccc2)cc(-c2cccc3c2sc2ccccc23)c1.OB(O)c1ccc(-c2cccc3c2sc2ccccc23)c2ccccc12.OB(O)c1ccc(-c2cccc3c2sc2ccccc23)cc1.OB(O)c1cccc(-c2cccc3c2sc2ccccc23)c1.OB(O)c1cccc2c(-c3cccc4c3sc3ccccc34)cccc12
InChIInChI=1S/C24H17BO2S.3C22H15BO2S.2C18H13BO2S/c26-25(27)19-14-17(16-7-2-1-3-8-16)13-18(15-19)20-10-6-11-22-21-9-4-5-12-23(21)28-24(20)22;24-23(25)20-12-5-8-14-15(7-3-9-16(14)20)18-10-4-11-19-17-6-1-2-13-21(17)26-22(18)19;24-23(25)20-13-15(12-14-6-1-2-7-16(14)20)17-9-5-10-19-18-8-3-4-11-21(18)26-22(17)19;24-23(25)20-13-12-15(14-6-1-2-7-16(14)20)18-9-5-10-19-17-8-3-4-11-21(17)26-22(18)19;20-19(21)13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)22-18(14)16;20-19(21)13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)22-18(14)16/h1-15,26-27H;3*1-13,24-25H;2*1-11,20-21H
InChIKeyVQPARRIPMKJQBO-UHFFFAOYSA-N
XLogP25.53
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002051.35
LogP ≤ 525.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze (3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid with MolForge

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Related Compounds

4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene
CID 59133620
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene
CID 157203788
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine
CID 88988857
4-(3-methyl-5-phenylphenyl)dibenzothiophene
CID 129266975
(6-dibenzothiophen-4-ylpyren-1-yl)boronic acid
CID 59758410
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
(8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid
CID 141395434
1-bromo-3-chloro-5-phenylbenzene;4-(3-chloro-5-phenylphenyl)dibenzothiophene;dibenzothiophen-4-ylboronic acid;methane
CID 162026828
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381

Frequently Asked Questions

What is the IUPAC name of (3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid?
The IUPAC name of (3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid (CID 161372095) is (3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid.
What is the SMILES notation for (3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid?
The canonical SMILES for (3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid is OB(O)c1cc(-c2cccc3c2sc2ccccc23)cc2ccccc12.OB(O)c1cc(-c2ccccc2)cc(-c2cccc3c2sc2ccccc23)c1.OB(O)c1ccc(-c2cccc3c2sc2ccccc23)c2ccccc12.OB(O)c1ccc(-c2cccc3c2sc2ccccc23)cc1.OB(O)c1cccc(-c2cccc3c2sc2ccccc23)c1.OB(O)c1cccc2c(-c3cccc4c3sc3ccccc34)cccc12.
What is the InChIKey of (3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid?
The InChIKey is VQPARRIPMKJQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BO2S.3C22H15BO2S.2C18H13BO2S/c26-25(27)19-14-17(16-7-2-1-3-8-16)13-18(15-19)20-10-6-11-22-21-9-4-5-12-23(21)28-24(20)22;24-23(25)20-12-5-8-14-15(7-3-9-16(14)20)18-10-4-11-19-17-6-1-2-13-21(17)26-22(18)19;24-23(25)20-13-15(12-14-6-1-2-7-16(14)20)17-9-5-10-19-18-8-3-4-11-21(18)26-22(17)19;24-23(25)20-13-12-15(14-6-1-2-7-16(14)20)18-9-5-10-19-17-8-3-4-11-21(17)26-22(18)19;20-19(21)13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)22-18(14)16;20-19(21)13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)22-18(14)16/h1-15,26-27H;3*1-13,24-25H;2*1-11,20-21H.
What are the key properties of (3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid?
(3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid has a molecular weight of 2051.35 g/mol, XLogP of 25.53, 13 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(4-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(5-dibenzothiophen-4-ylnaphthalen-1-yl)boronic acid;(3-dibenzothiophen-4-ylphenyl)boronic acid;(4-dibenzothiophen-4-ylphenyl)boronic acid;(3-dibenzothiophen-4-yl-5-phenylphenyl)boronic acid is sourced from PubChem (CID 161372095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).