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

C65H40N2O — CID 168765389

IUPAC4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5cccc6c7ccccc7c7ccccc7c56)cc4)c4ccc(-c5cccc6c7ccccc7c7ccccc7c56)cc4)cc3)ccnc12
InChIInChI=1S/C65H40N2O/c1-3-15-54-50(13-1)52-17-5-7-19-56(52)62-47(22-11-24-58(54)62)41-27-33-44(34-28-41)67(46-37-31-43(32-38-46)49-39-40-66-64-60-21-9-10-26-61(60)68-65(49)64)45-35-29-42(30-36-45)48-23-12-25-59-55-16-4-2-14-51(55)53-18-6-8-20-57(53)63(48)59/h1-40H
InChIKeyKEOZOQLYRIGQKK-UHFFFAOYSA-N
MW865.05 g/mol
LogP18.37
Rot. Bonds6

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

4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline (PubChem CID 168765389) has the molecular formula C65H40N2O and a molecular weight of 865.05 g/mol. Its IUPAC name is 4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline.

Molecular Properties

Compound Name4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline
PubChem CID168765389
Molecular FormulaC65H40N2O
Molecular Weight865.05 g/mol
Exact Mass864.31
IUPAC Name4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5cccc6c7ccccc7c7ccccc7c56)cc4)c4ccc(-c5cccc6c7ccccc7c7ccccc7c56)cc4)cc3)ccnc12
InChIInChI=1S/C65H40N2O/c1-3-15-54-50(13-1)52-17-5-7-19-56(52)62-47(22-11-24-58(54)62)41-27-33-44(34-28-41)67(46-37-31-43(32-38-46)49-39-40-66-64-60-21-9-10-26-61(60)68-65(49)64)45-35-29-42(30-36-45)48-23-12-25-59-55-16-4-2-14-51(55)53-18-6-8-20-57(53)63(48)59/h1-40H
InChIKeyKEOZOQLYRIGQKK-UHFFFAOYSA-N
XLogP18.37
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.05
LogP ≤ 518.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-[1]benzofuro[3,2-b]pyridine
CID 90139239
N,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine
CID 166861071
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
N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine
CID 166860859
4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 130191509
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine
CID 166861967
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
N-[4-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)phenyl]-N,4-diphenylaniline
CID 169060901

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline?
The IUPAC name of 4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline (CID 168765389) is 4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline.
What is the SMILES notation for 4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline?
The canonical SMILES for 4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline is c1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5cccc6c7ccccc7c7ccccc7c56)cc4)c4ccc(-c5cccc6c7ccccc7c7ccccc7c56)cc4)cc3)ccnc12.
What is the InChIKey of 4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline?
The InChIKey is KEOZOQLYRIGQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N2O/c1-3-15-54-50(13-1)52-17-5-7-19-56(52)62-47(22-11-24-58(54)62)41-27-33-44(34-28-41)67(46-37-31-43(32-38-46)49-39-40-66-64-60-21-9-10-26-61(60)68-65(49)64)45-35-29-42(30-36-45)48-23-12-25-59-55-16-4-2-14-51(55)53-18-6-8-20-57(53)63(48)59/h1-40H.
What are the key properties of 4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline?
4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline has a molecular weight of 865.05 g/mol, XLogP of 18.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline is sourced from PubChem (CID 168765389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).