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

C58H34N2O3 — CID 90250397

IUPAC8-[3-[3-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2cccc(-c3cccc(-c4ccc5oc6cccnc6c5c4)c3)c2)cc(-c2cccc(-c3ccc4oc5ccc(-c6ccc7oc8cccnc8c7c6)cc5c4c3)c2)c1
InChIInChI=1S/C58H34N2O3/c1-7-35(36-8-2-10-38(28-36)40-12-4-14-42(30-40)45-19-23-53-49(33-45)57-55(62-53)15-5-25-59-57)27-37(9-1)39-11-3-13-41(29-39)43-17-21-51-47(31-43)48-32-44(18-22-52(48)61-51)46-20-24-54-50(34-46)58-56(63-54)16-6-26-60-58/h1-34H
InChIKeyPIOCWXXWEZTKLV-UHFFFAOYSA-N
MW806.92 g/mol
LogP16.18
Rot. Bonds6

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

8-[3-[3-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 90250397) has the molecular formula C58H34N2O3 and a molecular weight of 806.92 g/mol. Its IUPAC name is 8-[3-[3-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[3-[3-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID90250397
Molecular FormulaC58H34N2O3
Molecular Weight806.92 g/mol
Exact Mass806.26
IUPAC Name8-[3-[3-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2cccc(-c3cccc(-c4ccc5oc6cccnc6c5c4)c3)c2)cc(-c2cccc(-c3ccc4oc5ccc(-c6ccc7oc8cccnc8c7c6)cc5c4c3)c2)c1
InChIInChI=1S/C58H34N2O3/c1-7-35(36-8-2-10-38(28-36)40-12-4-14-42(30-40)45-19-23-53-49(33-45)57-55(62-53)15-5-25-59-57)27-37(9-1)39-11-3-13-41(29-39)43-17-21-51-47(31-43)48-32-44(18-22-52(48)61-51)46-20-24-54-50(34-46)58-56(63-54)16-6-26-60-58/h1-34H
InChIKeyPIOCWXXWEZTKLV-UHFFFAOYSA-N
XLogP16.18
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.92
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[3-[3-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]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-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[3-[3-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 90250397) is 8-[3-[3-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[3-[3-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[3-[3-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1cc(-c2cccc(-c3cccc(-c4ccc5oc6cccnc6c5c4)c3)c2)cc(-c2cccc(-c3ccc4oc5ccc(-c6ccc7oc8cccnc8c7c6)cc5c4c3)c2)c1.
What is the InChIKey of 8-[3-[3-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is PIOCWXXWEZTKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2O3/c1-7-35(36-8-2-10-38(28-36)40-12-4-14-42(30-40)45-19-23-53-49(33-45)57-55(62-53)15-5-25-59-57)27-37(9-1)39-11-3-13-41(29-39)43-17-21-51-47(31-43)48-32-44(18-22-52(48)61-51)46-20-24-54-50(34-46)58-56(63-54)16-6-26-60-58/h1-34H.
What are the key properties of 8-[3-[3-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-[3-[3-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 806.92 g/mol, XLogP of 16.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[3-[3-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 90250397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).