6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine

C57H34N4O2 — CID 90265712

IUPAC6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5cccc(-c6ccc7oc8ncccc8c7c6)c5)c4)cc3c3nc(-c4cccc(-c5ccc6oc7ncccc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C57H34N4O2/c1-2-15-44(16-3-1)61-51-23-19-40(37-11-4-9-35(29-37)36-10-5-12-38(30-36)41-20-25-53-47(32-41)45-17-7-27-58-56(45)62-53)34-49(51)55-52(61)24-22-50(60-55)43-14-6-13-39(31-43)42-21-26-54-48(33-42)46-18-8-28-59-57(46)63-54/h1-34H
InChIKeyKONAKSYPRJALCU-UHFFFAOYSA-N
MW806.93 g/mol
LogP15.10
Rot. Bonds6

About 6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine

6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 90265712) has the molecular formula C57H34N4O2 and a molecular weight of 806.93 g/mol. Its IUPAC name is 6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID90265712
Molecular FormulaC57H34N4O2
Molecular Weight806.93 g/mol
Exact Mass806.27
IUPAC Name6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5cccc(-c6ccc7oc8ncccc8c7c6)c5)c4)cc3c3nc(-c4cccc(-c5ccc6oc7ncccc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C57H34N4O2/c1-2-15-44(16-3-1)61-51-23-19-40(37-11-4-9-35(29-37)36-10-5-12-38(30-36)41-20-25-53-47(32-41)45-17-7-27-58-56(45)62-53)34-49(51)55-52(61)24-22-50(60-55)43-14-6-13-39(31-43)42-21-26-54-48(33-42)46-18-8-28-59-57(46)63-54/h1-34H
InChIKeyKONAKSYPRJALCU-UHFFFAOYSA-N
XLogP15.10
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.93
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine (CID 90265712) is 6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine is c1ccc(-n2c3ccc(-c4cccc(-c5cccc(-c6ccc7oc8ncccc8c7c6)c5)c4)cc3c3nc(-c4cccc(-c5ccc6oc7ncccc7c6c5)c4)ccc32)cc1.
What is the InChIKey of 6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is KONAKSYPRJALCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O2/c1-2-15-44(16-3-1)61-51-23-19-40(37-11-4-9-35(29-37)36-10-5-12-38(30-36)41-20-25-53-47(32-41)45-17-7-27-58-56(45)62-53)34-49(51)55-52(61)24-22-50(60-55)43-14-6-13-39(31-43)42-21-26-54-48(33-42)46-18-8-28-59-57(46)63-54/h1-34H.
What are the key properties of 6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine?
6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 806.93 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[8-[3-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90265712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).