3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline

C29H20N2O — CID 160692171

IUPAC3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3cnc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C29H20N2O/c1-3-11-23(12-4-1)31(24-13-5-2-6-14-24)25-15-9-10-21(18-25)22-19-27-26-16-7-8-17-28(26)32-29(27)30-20-22/h1-20H
InChIKeyZMKBULCJPHZYJM-UHFFFAOYSA-N
MW412.49 g/mol
LogP8.12
Rot. Bonds4

About 3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline

3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline (PubChem CID 160692171) has the molecular formula C29H20N2O and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline
PubChem CID160692171
Molecular FormulaC29H20N2O
Molecular Weight412.49 g/mol
Exact Mass412.16
IUPAC Name3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3cnc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C29H20N2O/c1-3-11-23(12-4-1)31(24-13-5-2-6-14-24)25-15-9-10-21(18-25)22-19-27-26-16-7-8-17-28(26)32-29(27)30-20-22/h1-20H
InChIKeyZMKBULCJPHZYJM-UHFFFAOYSA-N
XLogP8.12
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 168765502
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine
CID 170177327
N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]pyridin-3-amine
CID 168737853
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 118428337
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline
CID 118214693
N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,3-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161375277
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051

Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline?
The IUPAC name of 3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline (CID 160692171) is 3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline.
What is the SMILES notation for 3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline?
The canonical SMILES for 3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2cccc(-c3cnc4oc5ccccc5c4c3)c2)cc1.
What is the InChIKey of 3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline?
The InChIKey is ZMKBULCJPHZYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O/c1-3-11-23(12-4-1)31(24-13-5-2-6-14-24)25-15-9-10-21(18-25)22-19-27-26-16-7-8-17-28(26)32-29(27)30-20-22/h1-20H.
What are the key properties of 3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline?
3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline has a molecular weight of 412.49 g/mol, XLogP of 8.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline is sourced from PubChem (CID 160692171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).