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

C47H30N4O — CID 168765379

IUPAC4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline
SMILESc1ccc2ncc(-c3ccc(N(c4ccc(-c5cnc6ccccc6c5)cc4)c4ccc(-c5ccc6c(n5)oc5ccccc56)cc4)cc3)cc2c1
InChIInChI=1S/C47H30N4O/c1-4-10-43-34(7-1)27-36(29-48-43)31-13-19-38(20-14-31)51(39-21-15-32(16-22-39)37-28-35-8-2-5-11-44(35)49-30-37)40-23-17-33(18-24-40)45-26-25-42-41-9-3-6-12-46(41)52-47(42)50-45/h1-30H
InChIKeyFKQSBECTIDBORZ-UHFFFAOYSA-N
MW666.78 g/mol
LogP12.55
Rot. Bonds6

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

4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline (PubChem CID 168765379) has the molecular formula C47H30N4O and a molecular weight of 666.78 g/mol. Its IUPAC name is 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline.

Molecular Properties

Compound Name4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline
PubChem CID168765379
Molecular FormulaC47H30N4O
Molecular Weight666.78 g/mol
Exact Mass666.24
IUPAC Name4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline
SMILESc1ccc2ncc(-c3ccc(N(c4ccc(-c5cnc6ccccc6c5)cc4)c4ccc(-c5ccc6c(n5)oc5ccccc56)cc4)cc3)cc2c1
InChIInChI=1S/C47H30N4O/c1-4-10-43-34(7-1)27-36(29-48-43)31-13-19-38(20-14-31)51(39-21-15-32(16-22-39)37-28-35-8-2-5-11-44(35)49-30-37)40-23-17-33(18-24-40)45-26-25-42-41-9-3-6-12-46(41)52-47(42)50-45/h1-30H
InChIKeyFKQSBECTIDBORZ-UHFFFAOYSA-N
XLogP12.55
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]aniline
CID 168765645
N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166861964
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline
CID 168765452
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,6-naphthyridin-7-yl)phenyl]aniline
CID 168765499
N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-7-isoquinolin-3-yl-N-(4-quinoxalin-2-ylphenyl)phenanthren-2-amine
CID 170404781
N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 166861406
N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-7-isoquinolin-3-yl-N-(4-quinazolin-2-ylphenyl)phenanthren-2-amine
CID 170404782
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
N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-isoquinolin-3-ylphenanthren-2-amine
CID 170404773
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
N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline
CID 168765879
N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 168765502

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline?
The IUPAC name of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline (CID 168765379) is 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline.
What is the SMILES notation for 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline?
The canonical SMILES for 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline is c1ccc2ncc(-c3ccc(N(c4ccc(-c5cnc6ccccc6c5)cc4)c4ccc(-c5ccc6c(n5)oc5ccccc56)cc4)cc3)cc2c1.
What is the InChIKey of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline?
The InChIKey is FKQSBECTIDBORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4O/c1-4-10-43-34(7-1)27-36(29-48-43)31-13-19-38(20-14-31)51(39-21-15-32(16-22-39)37-28-35-8-2-5-11-44(35)49-30-37)40-23-17-33(18-24-40)45-26-25-42-41-9-3-6-12-46(41)52-47(42)50-45/h1-30H.
What are the key properties of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline?
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline has a molecular weight of 666.78 g/mol, XLogP of 12.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline is sourced from PubChem (CID 168765379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).