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

C45H28N6O — CID 168765543

IUPACN-[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
SMILESc1cnc2ncc(-c3ccc(N(c4ccc(-c5cnc6ncccc6c5)cc4)c4ccc(-c5cc6oc7ccccc7c6cn5)cc4)cc3)cc2c1
InChIInChI=1S/C45H28N6O/c1-2-8-42-39(7-1)40-28-48-41(25-43(40)52-42)31-13-19-38(20-14-31)51(36-15-9-29(10-16-36)34-23-32-5-3-21-46-44(32)49-26-34)37-17-11-30(12-18-37)35-24-33-6-4-22-47-45(33)50-27-35/h1-28H
InChIKeyQAYWBKQHNYNCDV-UHFFFAOYSA-N
MW668.76 g/mol
LogP11.34
Rot. Bonds6

About 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

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 (PubChem CID 168765543) has the molecular formula C45H28N6O and a molecular weight of 668.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID168765543
Molecular FormulaC45H28N6O
Molecular Weight668.76 g/mol
Exact Mass668.23
IUPAC NameN-[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
SMILESc1cnc2ncc(-c3ccc(N(c4ccc(-c5cnc6ncccc6c5)cc4)c4ccc(-c5cc6oc7ccccc7c6cn5)cc4)cc3)cc2c1
InChIInChI=1S/C45H28N6O/c1-2-8-42-39(7-1)40-28-48-41(25-43(40)52-42)31-13-19-38(20-14-31)51(36-15-9-29(10-16-36)34-23-32-5-3-21-46-44(32)49-26-34)37-17-11-30(12-18-37)35-24-33-6-4-22-47-45(33)50-27-35/h1-28H
InChIKeyQAYWBKQHNYNCDV-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 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 with MolForge

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Related Compounds

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-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline
CID 168765765
N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-(1,6-naphthyridin-2-yl)-N-[4-(1,6-naphthyridin-2-yl)phenyl]aniline
CID 168765730
N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-(1,7-naphthyridin-2-yl)-N-[4-(1,7-naphthyridin-2-yl)phenyl]aniline
CID 168765866
N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(8-phenyl-1,7-naphthyridin-6-yl)aniline
CID 171463296
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-quinolin-3-ylphenyl)aniline
CID 168765379
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-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 168765502
N-dibenzofuran-3-yl-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)pyridin-2-amine
CID 148819210
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(8-phenyl-1,7-naphthyridin-6-yl)aniline
CID 171463430

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cnc2ncc(-c3ccc(N(c4ccc(-c5cnc6ncccc6c5)cc4)c4ccc(-c5cc6oc7ccccc7c6cn5)cc4)cc3)cc2c1.
What is the InChIKey of 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?
The InChIKey is QAYWBKQHNYNCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N6O/c1-2-8-42-39(7-1)40-28-48-41(25-43(40)52-42)31-13-19-38(20-14-31)51(36-15-9-29(10-16-36)34-23-32-5-3-21-46-44(32)49-26-34)37-17-11-30(12-18-37)35-24-33-6-4-22-47-45(33)50-27-35/h1-28H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 168765543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).