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

C56H30N4O4 — CID 126640854

IUPAC3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-3-yl]-8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-c]pyridine
SMILESc1cc(-c2ccc3oc4ccncc4c3c2)cc(-c2ccc3oc4cc(-c5cnc6c(c5)oc5ccc(-c7cccc(-c8ccc9oc%10cccnc%10c9c8)c7)cc56)ncc4c3c2)c1
InChIInChI=1S/C56H30N4O4/c1-4-31(35-9-13-47-40(22-35)44-29-57-19-17-51(44)61-47)20-32(5-1)36-10-14-48-41(23-36)45-30-59-46(27-53(45)63-48)39-26-54-56(60-28-39)43-25-38(12-16-50(43)64-54)34-7-2-6-33(21-34)37-11-15-49-42(24-37)55-52(62-49)8-3-18-58-55/h1-30H
InChIKeyPICQSRYWXYCOQU-UHFFFAOYSA-N
MW822.88 g/mol
LogP15.20
Rot. Bonds5

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

3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-3-yl]-8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 126640854) has the molecular formula C56H30N4O4 and a molecular weight of 822.88 g/mol. Its IUPAC name is 3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-3-yl]-8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-3-yl]-8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-c]pyridine
PubChem CID126640854
Molecular FormulaC56H30N4O4
Molecular Weight822.88 g/mol
Exact Mass822.23
IUPAC Name3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-3-yl]-8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-c]pyridine
SMILESc1cc(-c2ccc3oc4ccncc4c3c2)cc(-c2ccc3oc4cc(-c5cnc6c(c5)oc5ccc(-c7cccc(-c8ccc9oc%10cccnc%10c9c8)c7)cc56)ncc4c3c2)c1
InChIInChI=1S/C56H30N4O4/c1-4-31(35-9-13-47-40(22-35)44-29-57-19-17-51(44)61-47)20-32(5-1)36-10-14-48-41(23-36)45-30-59-46(27-53(45)63-48)39-26-54-56(60-28-39)43-25-38(12-16-50(43)64-54)34-7-2-6-33(21-34)37-11-15-49-42(24-37)55-52(62-49)8-3-18-58-55/h1-30H
InChIKeyPICQSRYWXYCOQU-UHFFFAOYSA-N
XLogP15.20
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.88
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

8-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine;8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine;8-[3-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;8-[3-[3-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 167677651
5-(8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 167165543
8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 90265596
8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 90291990
2-dibenzofuran-2-yl-8-[3-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]dibenzofuran;3-dibenzofuran-2-yl-5-(8-dibenzofuran-2-yldibenzofuran-2-yl)pyridine;8-[8-[3-(8-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-[1]benzofuro[3,2-b]pyridine;3-(8-phenyldibenzofuran-2-yl)-5-[8-(8-phenyldibenzofuran-2-yl)dibenzofuran-2-yl]pyridine
CID 159244725
8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)-5-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine;2,4-di(dibenzofuran-2-yl)-6-(8-dibenzofuran-2-yldibenzofuran-2-yl)pyrimidine
CID 167575212
8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265570
8-[3-[3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265559
8-[3-[3-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]sulfanylphenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265589
ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123551658
8-[6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;ethane
CID 144553631
7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine
CID 158403740

Frequently Asked Questions

What is the IUPAC name of 3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-3-yl]-8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-3-yl]-8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-c]pyridine (CID 126640854) is 3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-3-yl]-8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-3-yl]-8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-3-yl]-8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-c]pyridine is c1cc(-c2ccc3oc4ccncc4c3c2)cc(-c2ccc3oc4cc(-c5cnc6c(c5)oc5ccc(-c7cccc(-c8ccc9oc%10cccnc%10c9c8)c7)cc56)ncc4c3c2)c1.
What is the InChIKey of 3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-3-yl]-8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-c]pyridine?
The InChIKey is PICQSRYWXYCOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H30N4O4/c1-4-31(35-9-13-47-40(22-35)44-29-57-19-17-51(44)61-47)20-32(5-1)36-10-14-48-41(23-36)45-30-59-46(27-53(45)63-48)39-26-54-56(60-28-39)43-25-38(12-16-50(43)64-54)34-7-2-6-33(21-34)37-11-15-49-42(24-37)55-52(62-49)8-3-18-58-55/h1-30H.
What are the key properties of 3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-3-yl]-8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-c]pyridine?
3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-3-yl]-8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 822.88 g/mol, XLogP of 15.20, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-3-yl]-8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 126640854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).