N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline

C53H32N2O3 — CID 168765502

IUPACN-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5cnc6oc7ccccc7c6c5)cc4)cc3)ccc12
InChIInChI=1S/C53H32N2O3/c1-4-10-48-42(7-1)45-27-19-36(30-51(45)56-48)33-13-21-39(22-14-33)55(40-23-15-34(16-24-40)37-20-28-46-43-8-2-5-11-49(43)57-52(46)31-37)41-25-17-35(18-26-41)38-29-47-44-9-3-6-12-50(44)58-53(47)54-32-38/h1-32H
InChIKeyGPIGRXNAZSYTOU-UHFFFAOYSA-N
MW744.85 g/mol
LogP15.25
Rot. Bonds6

About N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline

N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline (PubChem CID 168765502) has the molecular formula C53H32N2O3 and a molecular weight of 744.85 g/mol. Its IUPAC name is N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline
PubChem CID168765502
Molecular FormulaC53H32N2O3
Molecular Weight744.85 g/mol
Exact Mass744.24
IUPAC NameN-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5cnc6oc7ccccc7c6c5)cc4)cc3)ccc12
InChIInChI=1S/C53H32N2O3/c1-4-10-48-42(7-1)45-27-19-36(30-51(45)56-48)33-13-21-39(22-14-33)55(40-23-15-34(16-24-40)37-20-28-46-43-8-2-5-11-49(43)57-52(46)31-37)41-25-17-35(18-26-41)38-29-47-44-9-3-6-12-50(44)58-53(47)54-32-38/h1-32H
InChIKeyGPIGRXNAZSYTOU-UHFFFAOYSA-N
XLogP15.25
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.85
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline
CID 160692171
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 88567948
4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline
CID 168765872
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,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]pyridin-3-amine
CID 168737853
4-[4-(N-[4-(8-dibenzofuran-3-yldibenzothiophen-2-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 90076231
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline?
The IUPAC name of N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline (CID 168765502) is N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline.
What is the SMILES notation for N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline?
The canonical SMILES for N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline is c1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5cnc6oc7ccccc7c6c5)cc4)cc3)ccc12.
What is the InChIKey of N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline?
The InChIKey is GPIGRXNAZSYTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O3/c1-4-10-48-42(7-1)45-27-19-36(30-51(45)56-48)33-13-21-39(22-14-33)55(40-23-15-34(16-24-40)37-20-28-46-43-8-2-5-11-49(43)57-52(46)31-37)41-25-17-35(18-26-41)38-29-47-44-9-3-6-12-50(44)58-53(47)54-32-38/h1-32H.
What are the key properties of N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline?
N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline has a molecular weight of 744.85 g/mol, XLogP of 15.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline is sourced from PubChem (CID 168765502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).