4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine

C32H16N4O2S — CID 130191527

IUPAC4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)oc1c(-c3cc4c(cn3)sc3c(-c5ccnc6c5oc5ccccc56)nccc34)ccnc12
InChIInChI=1S/C32H16N4O2S/c1-3-7-24-19(5-1)27-30(37-24)18(10-13-33-27)23-15-22-17-9-12-35-29(32(17)39-26(22)16-36-23)21-11-14-34-28-20-6-2-4-8-25(20)38-31(21)28/h1-16H
InChIKeyIIKNHZIRCBAZGR-UHFFFAOYSA-N
MW520.57 g/mol
LogP8.77
Rot. Bonds2

About 4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine

4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 130191527) has the molecular formula C32H16N4O2S and a molecular weight of 520.57 g/mol. Its IUPAC name is 4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine
PubChem CID130191527
Molecular FormulaC32H16N4O2S
Molecular Weight520.57 g/mol
Exact Mass520.10
IUPAC Name4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)oc1c(-c3cc4c(cn3)sc3c(-c5ccnc6c5oc5ccccc56)nccc34)ccnc12
InChIInChI=1S/C32H16N4O2S/c1-3-7-24-19(5-1)27-30(37-24)18(10-13-33-27)23-15-22-17-9-12-35-29(32(17)39-26(22)16-36-23)21-11-14-34-28-20-6-2-4-8-25(20)38-31(21)28/h1-16H
InChIKeyIIKNHZIRCBAZGR-UHFFFAOYSA-N
XLogP8.77
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.57
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 142281054
4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 130191509
6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 155101137
4-phenyl-[1]benzofuro[3,2-b]pyridine
CID 90139239
4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336353
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336336
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336371
[8-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane
CID 140811724
4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine
CID 142336489
3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine
CID 170531478
8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 153311745
4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
CID 162500362

Frequently Asked Questions

What is the IUPAC name of 4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine (CID 130191527) is 4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine is c1ccc2c(c1)oc1c(-c3cc4c(cn3)sc3c(-c5ccnc6c5oc5ccccc56)nccc34)ccnc12.
What is the InChIKey of 4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is IIKNHZIRCBAZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16N4O2S/c1-3-7-24-19(5-1)27-30(37-24)18(10-13-33-27)23-15-22-17-9-12-35-29(32(17)39-26(22)16-36-23)21-11-14-34-28-20-6-2-4-8-25(20)38-31(21)28/h1-16H.
What are the key properties of 4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine?
4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 520.57 g/mol, XLogP of 8.77, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 130191527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).