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

C58H34N2O2S — CID 90084677

IUPAC8-[3-[3-[8-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2cccc(-c3ccc4oc5cccnc5c4c3)c2)cc(-c2ccc3sc4ccc(-c5cccc(-c6cccc(-c7ccc8oc9cccnc9c8c7)c6)c5)cc4c3c2)c1
InChIInChI=1S/C58H34N2O2S/c1-7-35(27-39(11-1)43-17-21-51-49(33-43)57-53(61-51)15-5-25-59-57)37-9-3-13-41(29-37)45-19-23-55-47(31-45)48-32-46(20-24-56(48)63-55)42-14-4-10-38(30-42)36-8-2-12-40(28-36)44-18-22-52-50(34-44)58-54(62-52)16-6-26-60-58/h1-34H
InChIKeyGJWHSHMRTRXKLJ-UHFFFAOYSA-N
MW822.99 g/mol
LogP16.65
Rot. Bonds6

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

8-[3-[3-[8-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 90084677) has the molecular formula C58H34N2O2S and a molecular weight of 822.99 g/mol. Its IUPAC name is 8-[3-[3-[8-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[3-[3-[8-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID90084677
Molecular FormulaC58H34N2O2S
Molecular Weight822.99 g/mol
Exact Mass822.23
IUPAC Name8-[3-[3-[8-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2cccc(-c3ccc4oc5cccnc5c4c3)c2)cc(-c2ccc3sc4ccc(-c5cccc(-c6cccc(-c7ccc8oc9cccnc9c8c7)c6)c5)cc4c3c2)c1
InChIInChI=1S/C58H34N2O2S/c1-7-35(27-39(11-1)43-17-21-51-49(33-43)57-53(61-51)15-5-25-59-57)37-9-3-13-41(29-37)45-19-23-55-47(31-45)48-32-46(20-24-56(48)63-55)42-14-4-10-38(30-42)36-8-2-12-40(28-36)44-18-22-52-50(34-44)58-54(62-52)16-6-26-60-58/h1-34H
InChIKeyGJWHSHMRTRXKLJ-UHFFFAOYSA-N
XLogP16.65
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.99
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[3-[3-[8-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]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-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[3-[3-[8-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 90084677) is 8-[3-[3-[8-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[3-[3-[8-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[3-[3-[8-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1cc(-c2cccc(-c3ccc4oc5cccnc5c4c3)c2)cc(-c2ccc3sc4ccc(-c5cccc(-c6cccc(-c7ccc8oc9cccnc9c8c7)c6)c5)cc4c3c2)c1.
What is the InChIKey of 8-[3-[3-[8-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is GJWHSHMRTRXKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2O2S/c1-7-35(27-39(11-1)43-17-21-51-49(33-43)57-53(61-51)15-5-25-59-57)37-9-3-13-41(29-37)45-19-23-55-47(31-45)48-32-46(20-24-56(48)63-55)42-14-4-10-38(30-42)36-8-2-12-40(28-36)44-18-22-52-50(34-44)58-54(62-52)16-6-26-60-58/h1-34H.
What are the key properties of 8-[3-[3-[8-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-[3-[3-[8-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 822.99 g/mol, XLogP of 16.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[3-[8-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 90084677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).