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

C46H26N2O2S — CID 90250418

IUPAC8-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2cccc(-c3ccc4oc5cccnc5c4c3)c2)cc(-c2ccc3sc4ccc(-c5ccc6oc7cccnc7c6c5)cc4c3c2)c1
InChIInChI=1S/C46H26N2O2S/c1-5-27(21-29(7-1)31-11-15-39-37(25-31)45-41(49-39)9-3-19-47-45)28-6-2-8-30(22-28)33-13-17-43-35(23-33)36-24-34(14-18-44(36)51-43)32-12-16-40-38(26-32)46-42(50-40)10-4-20-48-46/h1-26H
InChIKeyHSVOLKLZBOKZGF-UHFFFAOYSA-N
MW670.79 g/mol
LogP13.31
Rot. Bonds4

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

8-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 90250418) has the molecular formula C46H26N2O2S and a molecular weight of 670.79 g/mol. Its IUPAC name is 8-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID90250418
Molecular FormulaC46H26N2O2S
Molecular Weight670.79 g/mol
Exact Mass670.17
IUPAC Name8-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2cccc(-c3ccc4oc5cccnc5c4c3)c2)cc(-c2ccc3sc4ccc(-c5ccc6oc7cccnc7c6c5)cc4c3c2)c1
InChIInChI=1S/C46H26N2O2S/c1-5-27(21-29(7-1)31-11-15-39-37(25-31)45-41(49-39)9-3-19-47-45)28-6-2-8-30(22-28)33-13-17-43-35(23-33)36-24-34(14-18-44(36)51-43)32-12-16-40-38(26-32)46-42(50-40)10-4-20-48-46/h1-26H
InChIKeyHSVOLKLZBOKZGF-UHFFFAOYSA-N
XLogP13.31
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.79
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 90250418) is 8-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1cc(-c2cccc(-c3ccc4oc5cccnc5c4c3)c2)cc(-c2ccc3sc4ccc(-c5ccc6oc7cccnc7c6c5)cc4c3c2)c1.
What is the InChIKey of 8-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is HSVOLKLZBOKZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N2O2S/c1-5-27(21-29(7-1)31-11-15-39-37(25-31)45-41(49-39)9-3-19-47-45)28-6-2-8-30(22-28)33-13-17-43-35(23-33)36-24-34(14-18-44(36)51-43)32-12-16-40-38(26-32)46-42(50-40)10-4-20-48-46/h1-26H.
What are the key properties of 8-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 670.79 g/mol, XLogP of 13.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 90250418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).