N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C41H28N2O — CID 168738216

IUPACN-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ncccc45)cc3)cc2)cc1
InChIInChI=1S/C41H28N2O/c1-3-9-29(10-4-1)31-16-22-34(23-17-31)43(35-24-18-32(19-25-35)30-11-5-2-6-12-30)36-26-20-33(21-27-36)37-13-7-14-38-39-15-8-28-42-41(39)44-40(37)38/h1-28H
InChIKeyTZIOHHQMIJDBGQ-UHFFFAOYSA-N
MW564.69 g/mol
LogP11.45
Rot. Bonds6

About N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 168738216) has the molecular formula C41H28N2O and a molecular weight of 564.69 g/mol. Its IUPAC name is N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID168738216
Molecular FormulaC41H28N2O
Molecular Weight564.69 g/mol
Exact Mass564.22
IUPAC NameN-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ncccc45)cc3)cc2)cc1
InChIInChI=1S/C41H28N2O/c1-3-9-29(10-4-1)31-16-22-34(23-17-31)43(35-24-18-32(19-25-35)30-11-5-2-6-12-30)36-26-20-33(21-27-36)37-13-7-14-38-39-15-8-28-42-41(39)44-40(37)38/h1-28H
InChIKeyTZIOHHQMIJDBGQ-UHFFFAOYSA-N
XLogP11.45
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 170177249
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline
CID 168765748
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
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-diphenyl-N-[4-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]phenyl]aniline
CID 130208173
N-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166861741
N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126851
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
N-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline
CID 139496205
8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine
CID 90139251

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 168738216) is N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ncccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is TZIOHHQMIJDBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2O/c1-3-9-29(10-4-1)31-16-22-34(23-17-31)43(35-24-18-32(19-25-35)30-11-5-2-6-12-30)36-26-20-33(21-27-36)37-13-7-14-38-39-15-8-28-42-41(39)44-40(37)38/h1-28H.
What are the key properties of N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 564.69 g/mol, XLogP of 11.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 168738216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).