4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline

C45H28N6O — CID 168765452

IUPAC4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline
SMILESc1cnc2cnc(-c3ccc(N(c4ccc(-c5cc6cccnc6cn5)cc4)c4ccc(-c5ccc6c(n5)oc5ccccc56)cc4)cc3)cc2c1
InChIInChI=1S/C45H28N6O/c1-2-8-44-37(7-1)38-21-22-39(50-45(38)52-44)29-9-15-34(16-10-29)51(35-17-11-30(12-18-35)40-25-32-5-3-23-46-42(32)27-48-40)36-19-13-31(14-20-36)41-26-33-6-4-24-47-43(33)28-49-41/h1-28H
InChIKeyXGJNKGHDYPTUHW-UHFFFAOYSA-N
MW668.76 g/mol
LogP11.34
Rot. Bonds6

About 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline

4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline (PubChem CID 168765452) has the molecular formula C45H28N6O and a molecular weight of 668.76 g/mol. Its IUPAC name is 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline.

Molecular Properties

Compound Name4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline
PubChem CID168765452
Molecular FormulaC45H28N6O
Molecular Weight668.76 g/mol
Exact Mass668.23
IUPAC Name4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline
SMILESc1cnc2cnc(-c3ccc(N(c4ccc(-c5cc6cccnc6cn5)cc4)c4ccc(-c5ccc6c(n5)oc5ccccc56)cc4)cc3)cc2c1
InChIInChI=1S/C45H28N6O/c1-2-8-44-37(7-1)38-21-22-39(50-45(38)52-44)29-9-15-34(16-10-29)51(35-17-11-30(12-18-35)40-25-32-5-3-23-46-42(32)27-48-40)36-19-13-31(14-20-36)41-26-33-6-4-24-47-43(33)28-49-41/h1-28H
InChIKeyXGJNKGHDYPTUHW-UHFFFAOYSA-N
XLogP11.34
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.76
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline with MolForge

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Related Compounds

4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,6-naphthyridin-7-yl)phenyl]aniline
CID 168765499
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
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline
CID 168765379
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]-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]-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[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
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[3,2-c]pyridin-3-yl)phenyl]-4-(1,8-naphthyridin-3-yl)-N-[4-(1,8-naphthyridin-3-yl)phenyl]aniline
CID 168765543

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline?
The IUPAC name of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline (CID 168765452) is 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline.
What is the SMILES notation for 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline?
The canonical SMILES for 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline is c1cnc2cnc(-c3ccc(N(c4ccc(-c5cc6cccnc6cn5)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-(1,7-naphthyridin-6-yl)phenyl]aniline?
The InChIKey is XGJNKGHDYPTUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N6O/c1-2-8-44-37(7-1)38-21-22-39(50-45(38)52-44)29-9-15-34(16-10-29)51(35-17-11-30(12-18-35)40-25-32-5-3-23-46-42(32)27-48-40)36-19-13-31(14-20-36)41-26-33-6-4-24-47-43(33)28-49-41/h1-28H.
What are the key properties of 4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline?
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline has a molecular weight of 668.76 g/mol, XLogP of 11.34, 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-(1,7-naphthyridin-6-yl)phenyl]aniline is sourced from PubChem (CID 168765452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).