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

C41H28N2O — CID 166861741

IUPACN-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4cnccc45)cc3)cc2)cc1
InChIInChI=1S/C41H28N2O/c1-3-8-29(9-4-1)31-14-20-34(21-15-31)43(35-22-16-32(17-23-35)30-10-5-2-6-11-30)36-24-18-33(19-25-36)37-12-7-13-39-38-26-27-42-28-40(38)44-41(37)39/h1-28H
InChIKeyLRUODNODXXXNBA-UHFFFAOYSA-N
MW564.69 g/mol
LogP11.45
Rot. Bonds6

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

N-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 166861741) has the molecular formula C41H28N2O and a molecular weight of 564.69 g/mol. Its IUPAC name is N-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID166861741
Molecular FormulaC41H28N2O
Molecular Weight564.69 g/mol
Exact Mass564.22
IUPAC NameN-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4cnccc45)cc3)cc2)cc1
InChIInChI=1S/C41H28N2O/c1-3-8-29(9-4-1)31-14-20-34(21-15-31)43(35-22-16-32(17-23-35)30-10-5-2-6-11-30)36-24-18-33(19-25-36)37-12-7-13-39-38-26-27-42-28-40(38)44-41(37)39/h1-28H
InChIKeyLRUODNODXXXNBA-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

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Related Compounds

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
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-triphenylsilylphenyl)aniline
CID 123964845
9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 122593315
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 168738216

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 166861741) is N-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4cnccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is LRUODNODXXXNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2O/c1-3-8-29(9-4-1)31-14-20-34(21-15-31)43(35-22-16-32(17-23-35)30-10-5-2-6-11-30)36-24-18-33(19-25-36)37-12-7-13-39-38-26-27-42-28-40(38)44-41(37)39/h1-28H.
What are the key properties of N-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-([1]benzofuro[2,3-c]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-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166861741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).