2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine

C51H33N3O3 — CID 160907375

IUPAC2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc3c(c2)oc2ncccc23)cc1.c1ccc(-c2ccc3c(n2)oc2ccccc23)cc1.c1ccc(-c2cnc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/3C17H11NO/c1-2-6-12(7-3-1)13-10-16-17(18-11-13)14-8-4-5-9-15(14)19-16;1-2-6-12(7-3-1)15-11-10-14-13-8-4-5-9-16(13)19-17(14)18-15;1-2-5-12(6-3-1)13-8-9-14-15-7-4-10-18-17(15)19-16(14)11-13/h3*1-11H
InChIKeySQHYSENAMJJFSU-UHFFFAOYSA-N
MW735.84 g/mol
LogP13.94
Rot. Bonds3

About 2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine

2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 160907375) has the molecular formula C51H33N3O3 and a molecular weight of 735.84 g/mol. Its IUPAC name is 2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine
PubChem CID160907375
Molecular FormulaC51H33N3O3
Molecular Weight735.84 g/mol
Exact Mass735.25
IUPAC Name2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc3c(c2)oc2ncccc23)cc1.c1ccc(-c2ccc3c(n2)oc2ccccc23)cc1.c1ccc(-c2cnc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/3C17H11NO/c1-2-6-12(7-3-1)13-10-16-17(18-11-13)14-8-4-5-9-15(14)19-16;1-2-6-12(7-3-1)15-11-10-14-13-8-4-5-9-16(13)19-17(14)18-15;1-2-5-12(6-3-1)13-8-9-14-15-7-4-10-18-17(15)19-16(14)11-13/h3*1-11H
InChIKeySQHYSENAMJJFSU-UHFFFAOYSA-N
XLogP13.94
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.84
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166802118
5-quinolin-2-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168747131
N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-4-naphthalen-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463386
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline
CID 168765379
11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
CID 90049940
N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166861964
N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-4-naphthalen-2-yl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]aniline
CID 171463278
5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 137392078
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline
CID 168765452
N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 168765502
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,6-naphthyridin-7-yl)phenyl]aniline
CID 168765499

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine (CID 160907375) is 2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2ccc3c(c2)oc2ncccc23)cc1.c1ccc(-c2ccc3c(n2)oc2ccccc23)cc1.c1ccc(-c2cnc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is SQHYSENAMJJFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H11NO/c1-2-6-12(7-3-1)13-10-16-17(18-11-13)14-8-4-5-9-15(14)19-16;1-2-6-12(7-3-1)15-11-10-14-13-8-4-5-9-16(13)19-17(14)18-15;1-2-5-12(6-3-1)13-8-9-14-15-7-4-10-18-17(15)19-16(14)11-13/h3*1-11H.
What are the key properties of 2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine?
2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 735.84 g/mol, XLogP of 13.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 160907375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).