N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline

C46H27F2N3O2 — CID 140881750

IUPACN,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline
SMILESFc1cc(F)cc(-c2ccccc2N(c2cccc(-c3cc4c(cn3)oc3ccccc34)c2)c2cccc(-c3cc4c(cn3)oc3ccccc34)c2)c1
InChIInChI=1S/C46H27F2N3O2/c47-31-19-30(20-32(48)23-31)35-13-1-4-16-42(35)51(33-11-7-9-28(21-33)40-24-38-36-14-2-5-17-43(36)52-45(38)26-49-40)34-12-8-10-29(22-34)41-25-39-37-15-3-6-18-44(37)53-46(39)27-50-41/h1-27H
InChIKeyUDLLUPCFKJZKET-UHFFFAOYSA-N
MW691.74 g/mol
LogP13.02
Rot. Bonds6

About N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline

N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline (PubChem CID 140881750) has the molecular formula C46H27F2N3O2 and a molecular weight of 691.74 g/mol. Its IUPAC name is N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline.

Molecular Properties

Compound NameN,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline
PubChem CID140881750
Molecular FormulaC46H27F2N3O2
Molecular Weight691.74 g/mol
Exact Mass691.21
IUPAC NameN,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline
SMILESFc1cc(F)cc(-c2ccccc2N(c2cccc(-c3cc4c(cn3)oc3ccccc34)c2)c2cccc(-c3cc4c(cn3)oc3ccccc34)c2)c1
InChIInChI=1S/C46H27F2N3O2/c47-31-19-30(20-32(48)23-31)35-13-1-4-16-42(35)51(33-11-7-9-28(21-33)40-24-38-36-14-2-5-17-43(36)52-45(38)26-49-40)34-12-8-10-29(22-34)41-25-39-37-15-3-6-18-44(37)53-46(39)27-50-41/h1-27H
InChIKeyUDLLUPCFKJZKET-UHFFFAOYSA-N
XLogP13.02
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.74
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline with MolForge

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
US10087191, Example 90
CID 124148331
4-[5-(2-Fluoro-4-aminocarbonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736417
4-(5-Pyridin-4-yl-furo[2,3-c]pyridin-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
CID 71736572
4-[5-(3-Fluoro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736719
2-(1-benzofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]quinoline-4-carboxamide
CID 156011202
4-Phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine
CID 118719759
6-(1-Benzofuran-2-yl)-2-methoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile
CID 127027563
6-(1-Benzofuran-2-yl)-2-ethoxy-4-(1-methylindol-3-yl)pyridine-3-carbonitrile
CID 127027564
6-(1-Benzofuran-2-yl)-4-(1-ethylindol-3-yl)-2-methoxypyridine-3-carbonitrile
CID 127027871
6-(1-Benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile
CID 127029677
6-(1-Benzofuran-2-yl)-11-methylindolizino[3,2-c]quinoline
CID 168277372

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline?
The IUPAC name of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline (CID 140881750) is N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline.
What is the SMILES notation for N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline?
The canonical SMILES for N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline is Fc1cc(F)cc(-c2ccccc2N(c2cccc(-c3cc4c(cn3)oc3ccccc34)c2)c2cccc(-c3cc4c(cn3)oc3ccccc34)c2)c1.
What is the InChIKey of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline?
The InChIKey is UDLLUPCFKJZKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27F2N3O2/c47-31-19-30(20-32(48)23-31)35-13-1-4-16-42(35)51(33-11-7-9-28(21-33)40-24-38-36-14-2-5-17-43(36)52-45(38)26-49-40)34-12-8-10-29(22-34)41-25-39-37-15-3-6-18-44(37)53-46(39)27-50-41/h1-27H.
What are the key properties of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline?
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline has a molecular weight of 691.74 g/mol, XLogP of 13.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline is sourced from PubChem (CID 140881750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).