6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine

C34H18N2O3S — CID 90250541

IUPAC6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine
SMILESc1cnc2oc3ccc(Sc4ccc5oc6ccc(-c7ccc8oc9ncccc9c8c7)cc6c5c4)cc3c2c1
InChIInChI=1S/C34H18N2O3S/c1-3-23-25-15-19(6-10-31(25)38-33(23)35-13-1)20-5-9-29-26(16-20)28-18-22(7-11-30(28)37-29)40-21-8-12-32-27(17-21)24-4-2-14-36-34(24)39-32/h1-18H
InChIKeyCQGHHPXSXLCNJH-UHFFFAOYSA-N
MW534.60 g/mol
LogP9.99
Rot. Bonds3

About 6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine

6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 90250541) has the molecular formula C34H18N2O3S and a molecular weight of 534.60 g/mol. Its IUPAC name is 6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine
PubChem CID90250541
Molecular FormulaC34H18N2O3S
Molecular Weight534.60 g/mol
Exact Mass534.10
IUPAC Name6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine
SMILESc1cnc2oc3ccc(Sc4ccc5oc6ccc(-c7ccc8oc9ncccc9c8c7)cc6c5c4)cc3c2c1
InChIInChI=1S/C34H18N2O3S/c1-3-23-25-15-19(6-10-31(25)38-33(23)35-13-1)20-5-9-29-26(16-20)28-18-22(7-11-30(28)37-29)40-21-8-12-32-27(17-21)24-4-2-14-36-34(24)39-32/h1-18H
InChIKeyCQGHHPXSXLCNJH-UHFFFAOYSA-N
XLogP9.99
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.60
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

6-[3-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[3-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[3-[3-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine
CID 167645998
8-[3-[3-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]sulfanylphenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265589
6-(4-tetraphenylen-1-ylphenyl)-[1]benzofuro[2,3-b]pyridine;6-(4-tetraphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine;6-(4-tetraphenylen-1-ylphenyl)-[1]benzofuro[2,3-c]pyridine;6-(4-tetraphenylen-2-ylphenyl)-[1]benzofuro[2,3-c]pyridine
CID 160625322
[4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane
CID 170291710
6-[3-[3-[8-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine
CID 160698146
[4-[7-[6-([1]benzofuro[2,3-b]pyridin-6-yl)-3-pyridinyl]naphthalen-2-yl]phenyl]-trimethylsilane
CID 169294079
7-(3-chlorophenyl)-[1]benzofuro[2,3-b]pyridine
CID 155173552
6-[4-carbazol-9-yl-6-(4-tritylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 162479864
8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 14638891
7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166802118
2-dibenzofuran-2-yl-8-methyldibenzofuran;3-methyl-[1]benzofuro[2,3-b]pyridine;6-methyl-[1]benzofuro[2,3-b]pyridine;8-methyl-[1]benzofuro[2,3-b]pyridine;6-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;2-methyldibenzofuran;4-methyldibenzofuran;toluene
CID 159276038
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

Frequently Asked Questions

What is the IUPAC name of 6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine (CID 90250541) is 6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine is c1cnc2oc3ccc(Sc4ccc5oc6ccc(-c7ccc8oc9ncccc9c8c7)cc6c5c4)cc3c2c1.
What is the InChIKey of 6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is CQGHHPXSXLCNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N2O3S/c1-3-23-25-15-19(6-10-31(25)38-33(23)35-13-1)20-5-9-29-26(16-20)28-18-22(7-11-30(28)37-29)40-21-8-12-32-27(17-21)24-4-2-14-36-34(24)39-32/h1-18H.
What are the key properties of 6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine?
6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 534.60 g/mol, XLogP of 9.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90250541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).