4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine

C40H23N3O2 — CID 142336434

IUPAC4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-n2c3c(-c4ccnc5c4oc4ccccc45)cccc3c3cccc(-c4ccnc5c4oc4ccccc45)c32)cc1
InChIInChI=1S/C40H23N3O2/c1-2-10-24(11-3-1)43-37-25(14-8-16-27(37)29-20-22-41-35-31-12-4-6-18-33(31)44-39(29)35)26-15-9-17-28(38(26)43)30-21-23-42-36-32-13-5-7-19-34(32)45-40(30)36/h1-23H
InChIKeyAUZYGQODWHQERQ-UHFFFAOYSA-N
MW577.64 g/mol
LogP10.71
Rot. Bonds3

About 4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine

4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336434) has the molecular formula C40H23N3O2 and a molecular weight of 577.64 g/mol. Its IUPAC name is 4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine
PubChem CID142336434
Molecular FormulaC40H23N3O2
Molecular Weight577.64 g/mol
Exact Mass577.18
IUPAC Name4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-n2c3c(-c4ccnc5c4oc4ccccc45)cccc3c3cccc(-c4ccnc5c4oc4ccccc45)c32)cc1
InChIInChI=1S/C40H23N3O2/c1-2-10-24(11-3-1)43-37-25(14-8-16-27(37)29-20-22-41-35-31-12-4-6-18-33(31)44-39(29)35)26-15-9-17-28(38(26)43)30-21-23-42-36-32-13-5-7-19-34(32)45-40(30)36/h1-23H
InChIKeyAUZYGQODWHQERQ-UHFFFAOYSA-N
XLogP10.71
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.64
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 142281054
4-phenyl-[1]benzofuro[3,2-b]pyridine
CID 90139239
4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-[2-(3-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-[2-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 160763553
4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 130191509
5-phenyl-4-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221355
11-phenyl-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 143805499
4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336353
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336336
4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine
CID 142336489
4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline
CID 168765389
4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 134316067
6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 121449359

Frequently Asked Questions

What is the IUPAC name of 4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine (CID 142336434) is 4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-n2c3c(-c4ccnc5c4oc4ccccc45)cccc3c3cccc(-c4ccnc5c4oc4ccccc45)c32)cc1.
What is the InChIKey of 4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is AUZYGQODWHQERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O2/c1-2-10-24(11-3-1)43-37-25(14-8-16-27(37)29-20-22-41-35-31-12-4-6-18-33(31)44-39(29)35)26-15-9-17-28(38(26)43)30-21-23-42-36-32-13-5-7-19-34(32)45-40(30)36/h1-23H.
What are the key properties of 4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine?
4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 577.64 g/mol, XLogP of 10.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).