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

C34H18N2O3S — CID 90250419

IUPAC8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzofuro[3,2-b]pyridine
SMILESc1cnc2c(c1)oc1ccc(Oc3ccc4sc5ccc(-c6ccc7oc8cccnc8c7c6)cc5c4c3)cc12
InChIInChI=1S/C34H18N2O3S/c1-3-29-33(35-13-1)25-16-19(5-9-27(25)38-29)20-6-11-31-23(15-20)24-17-22(8-12-32(24)40-31)37-21-7-10-28-26(18-21)34-30(39-28)4-2-14-36-34/h1-18H
InChIKeyVHRCGCPFGMDHAF-UHFFFAOYSA-N
MW534.60 g/mol
LogP10.10
Rot. Bonds3

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

8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzofuro[3,2-b]pyridine (PubChem CID 90250419) has the molecular formula C34H18N2O3S and a molecular weight of 534.60 g/mol. Its IUPAC name is 8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzofuro[3,2-b]pyridine
PubChem CID90250419
Molecular FormulaC34H18N2O3S
Molecular Weight534.60 g/mol
Exact Mass534.10
IUPAC Name8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzofuro[3,2-b]pyridine
SMILESc1cnc2c(c1)oc1ccc(Oc3ccc4sc5ccc(-c6ccc7oc8cccnc8c7c6)cc5c4c3)cc12
InChIInChI=1S/C34H18N2O3S/c1-3-29-33(35-13-1)25-16-19(5-9-27(25)38-29)20-6-11-31-23(15-20)24-17-22(8-12-32(24)40-31)37-21-7-10-28-26(18-21)34-30(39-28)4-2-14-36-34/h1-18H
InChIKeyVHRCGCPFGMDHAF-UHFFFAOYSA-N
XLogP10.10
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.60
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzofuro[3,2-b]pyridine (CID 90250419) is 8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzofuro[3,2-b]pyridine is c1cnc2c(c1)oc1ccc(Oc3ccc4sc5ccc(-c6ccc7oc8cccnc8c7c6)cc5c4c3)cc12.
What is the InChIKey of 8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzofuro[3,2-b]pyridine?
The InChIKey is VHRCGCPFGMDHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N2O3S/c1-3-29-33(35-13-1)25-16-19(5-9-27(25)38-29)20-6-11-31-23(15-20)24-17-22(8-12-32(24)40-31)37-21-7-10-28-26(18-21)34-30(39-28)4-2-14-36-34/h1-18H.
What are the key properties of 8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzofuro[3,2-b]pyridine?
8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzofuro[3,2-b]pyridine has a molecular weight of 534.60 g/mol, XLogP of 10.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 90250419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).