6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine

C35H21NS — CID 137067026

IUPAC6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc4sc5cnccc5c4c3)cc1-c1ccccc1-2
InChIInChI=1S/C35H21NS/c1-2-8-25-24(7-1)26-9-3-4-11-28(26)30-15-13-22(19-32(30)29-12-6-5-10-27(25)29)23-14-16-34-33(20-23)31-17-18-36-21-35(31)37-34/h1-21H/b26-24-,27-25-,30-28-,32-29-
InChIKeyPDDXFASKTPFWLS-HUGNYDBGSA-N
MW487.63 g/mol
LogP10.10
Rot. Bonds1

About 6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine

6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine (PubChem CID 137067026) has the molecular formula C35H21NS and a molecular weight of 487.63 g/mol. Its IUPAC name is 6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
PubChem CID137067026
Molecular FormulaC35H21NS
Molecular Weight487.63 g/mol
Exact Mass487.14
IUPAC Name6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc4sc5cnccc5c4c3)cc1-c1ccccc1-2
InChIInChI=1S/C35H21NS/c1-2-8-25-24(7-1)26-9-3-4-11-28(26)30-15-13-22(19-32(30)29-12-6-5-10-27(25)29)23-14-16-34-33(20-23)31-17-18-36-21-35(31)37-34/h1-21H/b26-24-,27-25-,30-28-,32-29-
InChIKeyPDDXFASKTPFWLS-HUGNYDBGSA-N
XLogP10.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.63
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
17-thia-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 156501515
N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-6-amine
CID 166860561
6-(4-tetraphenylen-1-ylphenyl)-[1]benzothiolo[2,3-b]pyridine;6-(4-tetraphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine;2-(4-tetraphenylen-1-ylphenyl)dibenzothiophene;2-(4-tetraphenylen-2-ylphenyl)dibenzothiophene
CID 157325985
8-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 177115919
2-(12-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
CID 134428991
2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
CID 158901330
10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 122629663
6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 126500748
7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine
CID 177115829
3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine
CID 138726343
2,8-bis(2-phenylphenyl)dibenzothiophene
CID 58971386

Frequently Asked Questions

What is the IUPAC name of 6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine (CID 137067026) is 6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine is c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc4sc5cnccc5c4c3)cc1-c1ccccc1-2.
What is the InChIKey of 6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is PDDXFASKTPFWLS-HUGNYDBGSA-N. The full InChI is InChI=1S/C35H21NS/c1-2-8-25-24(7-1)26-9-3-4-11-28(26)30-15-13-22(19-32(30)29-12-6-5-10-27(25)29)23-14-16-34-33(20-23)31-17-18-36-21-35(31)37-34/h1-21H/b26-24-,27-25-,30-28-,32-29-.
What are the key properties of 6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine?
6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 487.63 g/mol, XLogP of 10.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 137067026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).