8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine

C34H18N2OS3 — CID 90250479

IUPAC8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine
SMILESc1cnc2c(c1)sc1ccc(Oc3ccc4sc5ccc(-c6ccc7sc8cccnc8c7c6)cc5c4c3)cc12
InChIInChI=1S/C34H18N2OS3/c1-3-31-33(35-13-1)25-16-20(6-10-29(25)39-31)19-5-9-27-23(15-19)24-17-21(7-11-28(24)38-27)37-22-8-12-30-26(18-22)34-32(40-30)4-2-14-36-34/h1-18H
InChIKeyKZGUJCBRFUKNOO-UHFFFAOYSA-N
MW566.73 g/mol
LogP11.04
Rot. Bonds3

About 8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine

8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine (PubChem CID 90250479) has the molecular formula C34H18N2OS3 and a molecular weight of 566.73 g/mol. Its IUPAC name is 8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine
PubChem CID90250479
Molecular FormulaC34H18N2OS3
Molecular Weight566.73 g/mol
Exact Mass566.06
IUPAC Name8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine
SMILESc1cnc2c(c1)sc1ccc(Oc3ccc4sc5ccc(-c6ccc7sc8cccnc8c7c6)cc5c4c3)cc12
InChIInChI=1S/C34H18N2OS3/c1-3-31-33(35-13-1)25-16-20(6-10-29(25)39-31)19-5-9-27-23(15-19)24-17-21(7-11-28(24)38-27)37-22-8-12-30-26(18-22)34-32(40-30)4-2-14-36-34/h1-18H
InChIKeyKZGUJCBRFUKNOO-UHFFFAOYSA-N
XLogP11.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.73
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine with MolForge

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Related Compounds

[1]benzothiolo[3,2-b]pyridine
CID 174218515
8-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693074
2-[4-[8-[4-(1,10-phenanthrolin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,10-phenanthroline
CID 90050142
8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693027
3-(4-dibenzothiophen-2-ylphenyl)-1,10-phenanthroline
CID 90050319
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
8-[3-[3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265559
2-naphthalen-2-yloxydibenzothiophene
CID 14642240
10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine
CID 88858573
2-(4-dibenzothiophen-2-ylphenyl)-5,6-dimethoxy-1,10-phenanthroline
CID 90050115
8-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine
CID 142297990
8-(4-carbazol-9-yl-2,5-dimethylphenyl)-[1]benzothiolo[3,2-b]pyridine
CID 122693121

Frequently Asked Questions

What is the IUPAC name of 8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine (CID 90250479) is 8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine is c1cnc2c(c1)sc1ccc(Oc3ccc4sc5ccc(-c6ccc7sc8cccnc8c7c6)cc5c4c3)cc12.
What is the InChIKey of 8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is KZGUJCBRFUKNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N2OS3/c1-3-31-33(35-13-1)25-16-20(6-10-29(25)39-31)19-5-9-27-23(15-19)24-17-21(7-11-28(24)38-27)37-22-8-12-30-26(18-22)34-32(40-30)4-2-14-36-34/h1-18H.
What are the key properties of 8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine?
8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 566.73 g/mol, XLogP of 11.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 90250479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).