1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine

C146H86N4S4 — CID 158198953

IUPAC1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine
SMILESc1cc(-c2cnc3sc4ccccc4c3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc3c2sc2ccccc23)cc1.c1ccc2c(c1)sc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12.c1ccc2c(c1)sc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)nccc12
InChIInChI=1S/C47H27NS.2C35H21NS.C29H17NS/c1-3-15-34-30(11-1)32-13-5-7-17-36(32)41-25-28(21-23-38(34)41)44-27-43-40-19-9-10-20-45(40)49-47(43)46(48-44)29-22-24-39-35-16-4-2-12-31(35)33-14-6-8-18-37(33)42(39)26-29;1-2-12-28-26(10-1)27-11-3-4-13-29(27)32-19-24(16-17-30(28)32)22-8-7-9-23(18-22)25-20-33-31-14-5-6-15-34(31)37-35(33)36-21-25;1-2-10-22(11-3-1)34-35-31(29-16-8-9-17-33(29)37-35)21-32(36-34)23-18-19-28-26-14-5-4-12-24(26)25-13-6-7-15-27(25)30(28)20-23;1-2-9-21-19(7-1)20-8-3-4-10-22(20)26-17-18(13-14-23(21)26)28-29-25(15-16-30-28)24-11-5-6-12-27(24)31-29/h1-27H;2*1-21H;1-17H
InChIKeyGARRWBVOTZDRJL-UHFFFAOYSA-N
MW2024.59 g/mol
LogP42.76
Rot. Bonds7

About 1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine

1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine (PubChem CID 158198953) has the molecular formula C146H86N4S4 and a molecular weight of 2024.59 g/mol. Its IUPAC name is 1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine
PubChem CID158198953
Molecular FormulaC146H86N4S4
Molecular Weight2024.59 g/mol
Exact Mass2022.57
IUPAC Name1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine
SMILESc1cc(-c2cnc3sc4ccccc4c3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc3c2sc2ccccc23)cc1.c1ccc2c(c1)sc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12.c1ccc2c(c1)sc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)nccc12
InChIInChI=1S/C47H27NS.2C35H21NS.C29H17NS/c1-3-15-34-30(11-1)32-13-5-7-17-36(32)41-25-28(21-23-38(34)41)44-27-43-40-19-9-10-20-45(40)49-47(43)46(48-44)29-22-24-39-35-16-4-2-12-31(35)33-14-6-8-18-37(33)42(39)26-29;1-2-12-28-26(10-1)27-11-3-4-13-29(27)32-19-24(16-17-30(28)32)22-8-7-9-23(18-22)25-20-33-31-14-5-6-15-34(31)37-35(33)36-21-25;1-2-10-22(11-3-1)34-35-31(29-16-8-9-17-33(29)37-35)21-32(36-34)23-18-19-28-26-14-5-4-12-24(26)25-13-6-7-15-27(25)30(28)20-23;1-2-9-21-19(7-1)20-8-3-4-10-22(20)26-17-18(13-14-23(21)26)28-29-25(15-16-30-28)24-11-5-6-12-27(24)31-29/h1-27H;2*1-21H;1-17H
InChIKeyGARRWBVOTZDRJL-UHFFFAOYSA-N
XLogP42.76
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002024.59
LogP ≤ 542.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine with MolForge

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Related Compounds

3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine
CID 59413763
3-(3-carbazol-9-ylcarbazol-9-yl)-1-phenyl-6-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine
CID 158166610
1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 176651602
1-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinolin-3-yl]-[1]benzothiolo[2,3-c]pyridine
CID 168746133
7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine
CID 177115829
2-(3-dibenzothiophen-4-ylphenyl)-8-(3-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2-(3-dibenzothiophen-4-ylphenyl)-8-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 157363541
2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline
CID 161198535
6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 160839103
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
6-triphenylen-2-yl-[1]benzofuro[2,3-b]pyridine;3-triphenylen-2-yl-[1]benzothiolo[2,3-b]pyridine;6-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine
CID 158899057
4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349921

Frequently Asked Questions

What is the IUPAC name of 1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine (CID 158198953) is 1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine is c1cc(-c2cnc3sc4ccccc4c3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc3c2sc2ccccc23)cc1.c1ccc2c(c1)sc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12.c1ccc2c(c1)sc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)nccc12.
What is the InChIKey of 1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is GARRWBVOTZDRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27NS.2C35H21NS.C29H17NS/c1-3-15-34-30(11-1)32-13-5-7-17-36(32)41-25-28(21-23-38(34)41)44-27-43-40-19-9-10-20-45(40)49-47(43)46(48-44)29-22-24-39-35-16-4-2-12-31(35)33-14-6-8-18-37(33)42(39)26-29;1-2-12-28-26(10-1)27-11-3-4-13-29(27)32-19-24(16-17-30(28)32)22-8-7-9-23(18-22)25-20-33-31-14-5-6-15-34(31)37-35(33)36-21-25;1-2-10-22(11-3-1)34-35-31(29-16-8-9-17-33(29)37-35)21-32(36-34)23-18-19-28-26-14-5-4-12-24(26)25-13-6-7-15-27(25)30(28)20-23;1-2-9-21-19(7-1)20-8-3-4-10-22(20)26-17-18(13-14-23(21)26)28-29-25(15-16-30-28)24-11-5-6-12-27(24)31-29/h1-27H;2*1-21H;1-17H.
What are the key properties of 1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine?
1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 2024.59 g/mol, XLogP of 42.76, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(triphenylen-2-yl)-[1]benzothiolo[2,3-c]pyridine;1-phenyl-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 158198953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).