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

C50H31N5O2 — CID 171463296

IUPACN-[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
SMILESc1ccc(-c2nc(-c3ccc(N(c4ccc(-c5cc6oc7ccccc7c6cn5)cc4)c4ccc(-c5nc6ccccc6o5)cc4)cc3)cc3cccnc23)cc1
InChIInChI=1S/C50H31N5O2/c1-2-9-34(10-3-1)49-48-36(11-8-28-51-48)29-44(53-49)33-18-24-38(25-19-33)55(39-26-20-35(21-27-39)50-54-42-13-5-7-15-46(42)57-50)37-22-16-32(17-23-37)43-30-47-41(31-52-43)40-12-4-6-14-45(40)56-47/h1-31H
InChIKeyHMDCMMFENUSZNE-UHFFFAOYSA-N
MW733.83 g/mol
LogP13.20
Rot. Bonds7

About 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

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 (PubChem CID 171463296) has the molecular formula C50H31N5O2 and a molecular weight of 733.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID171463296
Molecular FormulaC50H31N5O2
Molecular Weight733.83 g/mol
Exact Mass733.25
IUPAC NameN-[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
SMILESc1ccc(-c2nc(-c3ccc(N(c4ccc(-c5cc6oc7ccccc7c6cn5)cc4)c4ccc(-c5nc6ccccc6o5)cc4)cc3)cc3cccnc23)cc1
InChIInChI=1S/C50H31N5O2/c1-2-9-34(10-3-1)49-48-36(11-8-28-51-48)29-44(53-49)33-18-24-38(25-19-33)55(39-26-20-35(21-27-39)50-54-42-13-5-7-15-46(42)57-50)37-22-16-32(17-23-37)43-30-47-41(31-52-43)40-12-4-6-14-45(40)56-47/h1-31H
InChIKeyHMDCMMFENUSZNE-UHFFFAOYSA-N
XLogP13.20
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.83
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-(1,3-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-([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
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[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]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline
CID 165150202
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-2-yl)phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-isoquinolin-3-ylphenanthren-2-amine
CID 170404773
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc(N(c4ccc(-c5cc6oc7ccccc7c6cn5)cc4)c4ccc(-c5nc6ccccc6o5)cc4)cc3)cc3cccnc23)cc1.
What is the InChIKey of 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?
The InChIKey is HMDCMMFENUSZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O2/c1-2-9-34(10-3-1)49-48-36(11-8-28-51-48)29-44(53-49)33-18-24-38(25-19-33)55(39-26-20-35(21-27-39)50-54-42-13-5-7-15-46(42)57-50)37-22-16-32(17-23-37)43-30-47-41(31-52-43)40-12-4-6-14-45(40)56-47/h1-31H.
What are the key properties of 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?
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 has a molecular weight of 733.83 g/mol, XLogP of 13.20, 7 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]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(8-phenyl-1,7-naphthyridin-6-yl)aniline is sourced from PubChem (CID 171463296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).