N-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline

C52H33N5O — CID 171463370

IUPACN-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
SMILESc1ccc(-c2nc(-c3ccc(N(c4ccc(-c5ccc6cnccc6c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6n5)cc4)cc3)cc3cccnc23)cc1
InChIInChI=1S/C52H33N5O/c1-2-7-37(8-3-1)51-50-40(9-6-29-54-50)32-47(56-51)36-18-24-44(25-19-36)57(42-20-14-34(15-21-42)38-12-13-41-33-53-30-28-39(41)31-38)43-22-16-35(17-23-43)46-26-27-49-52(55-46)45-10-4-5-11-48(45)58-49/h1-33H
InChIKeyNKLQDMHRDFMCQK-UHFFFAOYSA-N
MW743.87 g/mol
LogP13.61
Rot. Bonds7

About N-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline

N-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline (PubChem CID 171463370) has the molecular formula C52H33N5O and a molecular weight of 743.87 g/mol. Its IUPAC name is N-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
PubChem CID171463370
Molecular FormulaC52H33N5O
Molecular Weight743.87 g/mol
Exact Mass743.27
IUPAC NameN-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
SMILESc1ccc(-c2nc(-c3ccc(N(c4ccc(-c5ccc6cnccc6c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6n5)cc4)cc3)cc3cccnc23)cc1
InChIInChI=1S/C52H33N5O/c1-2-7-37(8-3-1)51-50-40(9-6-29-54-50)32-47(56-51)36-18-24-44(25-19-36)57(42-20-14-34(15-21-42)38-12-13-41-33-53-30-28-39(41)31-38)43-22-16-35(17-23-43)46-26-27-49-52(55-46)45-10-4-5-11-48(45)58-49/h1-33H
InChIKeyNKLQDMHRDFMCQK-UHFFFAOYSA-N
XLogP13.61
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.87
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline with MolForge

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Related Compounds

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-isoquinolin-3-ylphenyl)-4-phenanthren-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463405
N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine
CID 171463410
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-dibenzofuran-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463436
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-naphthalen-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463408
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine
CID 166860593
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
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
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenanthren-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463423
N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine
CID 166861055
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-isoquinolin-7-ylphenyl)-4-phenanthren-2-yl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]aniline
CID 171463466

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline?
The IUPAC name of N-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline (CID 171463370) is N-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline.
What is the SMILES notation for N-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline?
The canonical SMILES for N-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline is c1ccc(-c2nc(-c3ccc(N(c4ccc(-c5ccc6cnccc6c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6n5)cc4)cc3)cc3cccnc23)cc1.
What is the InChIKey of N-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline?
The InChIKey is NKLQDMHRDFMCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5O/c1-2-7-37(8-3-1)51-50-40(9-6-29-54-50)32-47(56-51)36-18-24-44(25-19-36)57(42-20-14-34(15-21-42)38-12-13-41-33-53-30-28-39(41)31-38)43-22-16-35(17-23-43)46-26-27-49-52(55-46)45-10-4-5-11-48(45)58-49/h1-33H.
What are the key properties of N-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline?
N-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline has a molecular weight of 743.87 g/mol, XLogP of 13.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline is sourced from PubChem (CID 171463370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).