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

C166H102N2S4 — CID 157325985

IUPAC6-(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
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc(-c4ccc5sc6ncccc6c5c4)cc3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cccc(-c3ccc(-c4ccc5sc6ncccc6c5c4)cc3)c1-c1ccccc1-2
InChIInChI=1S/2C42H26S.2C41H25NS/c1-2-11-32-31(10-1)33-12-3-4-13-35(33)38-18-9-17-30(42(38)37-16-6-5-14-34(32)37)28-22-20-27(21-23-28)29-24-25-41-39(26-29)36-15-7-8-19-40(36)43-41;1-2-10-32-31(9-1)33-11-3-4-13-35(33)37-23-21-29(25-39(37)36-14-6-5-12-34(32)36)27-17-19-28(20-18-27)30-22-24-42-40(26-30)38-15-7-8-16-41(38)43-42;1-2-10-31-30(9-1)32-11-3-4-12-34(32)36-16-7-15-29(40(36)35-14-6-5-13-33(31)35)27-20-18-26(19-21-27)28-22-23-39-38(25-28)37-17-8-24-42-41(37)43-39;1-2-9-31-30(8-1)32-10-3-4-12-34(32)36-21-19-28(24-38(36)35-13-6-5-11-33(31)35)26-15-17-27(18-16-26)29-20-22-40-39(25-29)37-14-7-23-42-41(37)43-40/h2*1-26H;2*1-25H/b33-31-,34-32-,38-35-,42-37-;33-31-,34-32-,37-35-,39-36-;32-30-,33-31-,36-34-,40-35-;32-30-,33-31-,36-34-,38-35-
InChIKeyBESMRUDHQIRKKZ-QYSYLLJSSA-N
MW2252.92 g/mol
LogP48.27
Rot. Bonds8

About 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

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 (PubChem CID 157325985) has the molecular formula C166H102N2S4 and a molecular weight of 2252.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID157325985
Molecular FormulaC166H102N2S4
Molecular Weight2252.92 g/mol
Exact Mass2250.69
IUPAC Name6-(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
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc(-c4ccc5sc6ncccc6c5c4)cc3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cccc(-c3ccc(-c4ccc5sc6ncccc6c5c4)cc3)c1-c1ccccc1-2
InChIInChI=1S/2C42H26S.2C41H25NS/c1-2-11-32-31(10-1)33-12-3-4-13-35(33)38-18-9-17-30(42(38)37-16-6-5-14-34(32)37)28-22-20-27(21-23-28)29-24-25-41-39(26-29)36-15-7-8-19-40(36)43-41;1-2-10-32-31(9-1)33-11-3-4-13-35(33)37-23-21-29(25-39(37)36-14-6-5-12-34(32)36)27-17-19-28(20-18-27)30-22-24-42-40(26-30)38-15-7-8-16-41(38)43-42;1-2-10-31-30(9-1)32-11-3-4-12-34(32)36-16-7-15-29(40(36)35-14-6-5-13-33(31)35)27-20-18-26(19-21-27)28-22-23-39-38(25-28)37-17-8-24-42-41(37)43-39;1-2-9-31-30(8-1)32-10-3-4-12-34(32)36-21-19-28(24-38(36)35-13-6-5-11-33(31)35)26-15-17-27(18-16-26)29-20-22-40-39(25-29)37-14-7-23-42-41(37)43-40/h2*1-26H;2*1-25H/b33-31-,34-32-,38-35-,42-37-;33-31-,34-32-,37-35-,39-36-;32-30-,33-31-,36-34-,40-35-;32-30-,33-31-,36-34-,38-35-
InChIKeyBESMRUDHQIRKKZ-QYSYLLJSSA-N
XLogP48.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002252.92
LogP ≤ 548.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 90250519
2-(9-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
CID 134428982
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
6-dibenzothiophen-4-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;9-dibenzothiophen-4-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;10-dibenzothiophen-4-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;11-dibenzothiophen-4-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;12-dibenzothiophen-4-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene
CID 160799463
6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 137067026
11-dibenzothiophen-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21(26),22,24,27-tetradecaene
CID 134428661
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790075
6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 169293735
3-(4-dibenzothiophen-2-ylphenyl)-1,10-phenanthroline
CID 90050319
4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene
CID 137294981

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc(-c4ccc5sc6ncccc6c5c4)cc3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cccc(-c3ccc(-c4ccc5sc6ncccc6c5c4)cc3)c1-c1ccccc1-2.
What is the InChIKey of 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?
The InChIKey is BESMRUDHQIRKKZ-QYSYLLJSSA-N. The full InChI is InChI=1S/2C42H26S.2C41H25NS/c1-2-11-32-31(10-1)33-12-3-4-13-35(33)38-18-9-17-30(42(38)37-16-6-5-14-34(32)37)28-22-20-27(21-23-28)29-24-25-41-39(26-29)36-15-7-8-19-40(36)43-41;1-2-10-32-31(9-1)33-11-3-4-13-35(33)37-23-21-29(25-39(37)36-14-6-5-12-34(32)36)27-17-19-28(20-18-27)30-22-24-42-40(26-30)38-15-7-8-16-41(38)43-42;1-2-10-31-30(9-1)32-11-3-4-12-34(32)36-16-7-15-29(40(36)35-14-6-5-13-33(31)35)27-20-18-26(19-21-27)28-22-23-39-38(25-28)37-17-8-24-42-41(37)43-39;1-2-9-31-30(8-1)32-10-3-4-12-34(32)36-21-19-28(24-38(36)35-13-6-5-11-33(31)35)26-15-17-27(18-16-26)29-20-22-40-39(25-29)37-14-7-23-42-41(37)43-40/h2*1-26H;2*1-25H/b33-31-,34-32-,38-35-,42-37-;33-31-,34-32-,37-35-,39-36-;32-30-,33-31-,36-34-,40-35-;32-30-,33-31-,36-34-,38-35-.
What are the key properties of 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?
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 has a molecular weight of 2252.92 g/mol, XLogP of 48.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157325985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).