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

C51H30N4O3 — CID 168765645

IUPAC4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]aniline
SMILESc1ccc2c(c1)oc1nc(-c3ccc(N(c4ccc(-c5ccc6c(n5)oc5ccccc56)cc4)c4ccc(-c5ccc6c(n5)oc5ccccc56)cc4)cc3)ccc12
InChIInChI=1S/C51H30N4O3/c1-4-10-46-37(7-1)40-25-28-43(52-49(40)56-46)31-13-19-34(20-14-31)55(35-21-15-32(16-22-35)44-29-26-41-38-8-2-5-11-47(38)57-50(41)53-44)36-23-17-33(18-24-36)45-30-27-42-39-9-3-6-12-48(39)58-51(42)54-45/h1-30H
InChIKeyLZSWDQCRULTSGG-UHFFFAOYSA-N
MW746.83 g/mol
LogP14.04
Rot. Bonds6

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

4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]aniline (PubChem CID 168765645) has the molecular formula C51H30N4O3 and a molecular weight of 746.83 g/mol. Its IUPAC name is 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]aniline
PubChem CID168765645
Molecular FormulaC51H30N4O3
Molecular Weight746.83 g/mol
Exact Mass746.23
IUPAC Name4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]aniline
SMILESc1ccc2c(c1)oc1nc(-c3ccc(N(c4ccc(-c5ccc6c(n5)oc5ccccc56)cc4)c4ccc(-c5ccc6c(n5)oc5ccccc56)cc4)cc3)ccc12
InChIInChI=1S/C51H30N4O3/c1-4-10-46-37(7-1)40-25-28-43(52-49(40)56-46)31-13-19-34(20-14-31)55(35-21-15-32(16-22-35)44-29-26-41-38-8-2-5-11-47(38)57-50(41)53-44)36-23-17-33(18-24-36)45-30-27-42-39-9-3-6-12-48(39)58-51(42)54-45/h1-30H
InChIKeyLZSWDQCRULTSGG-UHFFFAOYSA-N
XLogP14.04
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.83
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166861964
N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 166861406
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline
CID 168765379
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]-4-naphthalen-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463386
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]-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]-7-isoquinolin-3-yl-N-(4-quinazolin-2-ylphenyl)phenanthren-2-amine
CID 170404782
N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline
CID 168765879
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]aniline?
The IUPAC name of 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) is 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]aniline.
What is the SMILES notation for 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]aniline?
The canonical SMILES for 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]aniline is c1ccc2c(c1)oc1nc(-c3ccc(N(c4ccc(-c5ccc6c(n5)oc5ccccc56)cc4)c4ccc(-c5ccc6c(n5)oc5ccccc56)cc4)cc3)ccc12.
What is the InChIKey of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]aniline?
The InChIKey is LZSWDQCRULTSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O3/c1-4-10-46-37(7-1)40-25-28-43(52-49(40)56-46)31-13-19-34(20-14-31)55(35-21-15-32(16-22-35)44-29-26-41-38-8-2-5-11-47(38)57-50(41)53-44)36-23-17-33(18-24-36)45-30-27-42-39-9-3-6-12-48(39)58-51(42)54-45/h1-30H.
What are the key properties of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]aniline?
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]aniline has a molecular weight of 746.83 g/mol, XLogP of 14.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 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-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]aniline is sourced from PubChem (CID 168765645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).