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

C53H34N4O — CID 171463386

IUPACN-[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
SMILESc1ccc(-c2nc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c(n5)oc5ccccc56)cc4)cc3)cc3cccnc23)cc1
InChIInChI=1S/C53H34N4O/c1-2-10-39(11-3-1)52-51-42(13-8-32-54-51)34-49(55-52)38-22-28-45(29-23-38)57(43-24-18-36(19-25-43)41-17-16-35-9-4-5-12-40(35)33-41)44-26-20-37(21-27-44)48-31-30-47-46-14-6-7-15-50(46)58-53(47)56-48/h1-34H
InChIKeyLNFHXVVLMDAJQT-UHFFFAOYSA-N
MW742.88 g/mol
LogP14.22
Rot. Bonds7

About 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

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 (PubChem CID 171463386) has the molecular formula C53H34N4O and a molecular weight of 742.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID171463386
Molecular FormulaC53H34N4O
Molecular Weight742.88 g/mol
Exact Mass742.27
IUPAC NameN-[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
SMILESc1ccc(-c2nc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c(n5)oc5ccccc56)cc4)cc3)cc3cccnc23)cc1
InChIInChI=1S/C53H34N4O/c1-2-10-39(11-3-1)52-51-42(13-8-32-54-51)34-49(55-52)38-22-28-45(29-23-38)57(43-24-18-36(19-25-43)41-17-16-35-9-4-5-12-40(35)33-41)44-26-20-37(21-27-44)48-31-30-47-46-14-6-7-15-50(46)58-53(47)56-48/h1-34H
InChIKeyLNFHXVVLMDAJQT-UHFFFAOYSA-N
XLogP14.22
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166861964
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]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
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-isoquinolin-3-ylphenyl)-4-phenanthren-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463405
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-[4-(1,3-benzoxazol-2-yl)phenyl]-4-dibenzofuran-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463436
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]benzofuro[2,3-b]pyridin-2-yl)phenyl]aniline
CID 168765645
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c(n5)oc5ccccc56)cc4)cc3)cc3cccnc23)cc1.
What is the InChIKey of 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?
The InChIKey is LNFHXVVLMDAJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O/c1-2-10-39(11-3-1)52-51-42(13-8-32-54-51)34-49(55-52)38-22-28-45(29-23-38)57(43-24-18-36(19-25-43)41-17-16-35-9-4-5-12-40(35)33-41)44-26-20-37(21-27-44)48-31-30-47-46-14-6-7-15-50(46)58-53(47)56-48/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 742.88 g/mol, XLogP of 14.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171463386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).