N,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine

C54H35N3O — CID 170253242

IUPACN,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine
SMILESc1ccc(-c2cccc(-c3nc4ccccc4nc3-c3cc(-c4ccc5cc(N(c6ccccc6)c6ccccc6)ccc5c4)cc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C54H35N3O/c1-4-15-36(16-5-1)37-17-14-18-41(32-37)53-54(56-49-25-12-11-24-48(49)55-53)47-34-42(35-51-52(47)46-23-10-13-26-50(46)58-51)39-27-28-40-33-45(30-29-38(40)31-39)57(43-19-6-2-7-20-43)44-21-8-3-9-22-44/h1-35H
InChIKeyUFDYVDUZUSSRCP-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.82
Rot. Bonds7

About N,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine

N,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine (PubChem CID 170253242) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is N,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine
PubChem CID170253242
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC NameN,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine
SMILESc1ccc(-c2cccc(-c3nc4ccccc4nc3-c3cc(-c4ccc5cc(N(c6ccccc6)c6ccccc6)ccc5c4)cc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C54H35N3O/c1-4-15-36(16-5-1)37-17-14-18-41(32-37)53-54(56-49-25-12-11-24-48(49)55-53)47-34-42(35-51-52(47)46-23-10-13-26-50(46)58-51)39-27-28-40-33-45(30-29-38(40)31-39)57(43-19-6-2-7-20-43)44-21-8-3-9-22-44/h1-35H
InChIKeyUFDYVDUZUSSRCP-UHFFFAOYSA-N
XLogP14.82
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine with MolForge

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Related Compounds

N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline
CID 176817789
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-bis(4-phenylphenyl)aniline
CID 154938698
N-(3-dibenzofuran-1-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 176810568
N-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine
CID 169048396
3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 158904441
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566303
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenylaniline
CID 166565631
5-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 176765183
N-[4-(5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-N,3-diphenylaniline
CID 176765144
N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 176765434
N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline
CID 167323705
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine?
The IUPAC name of N,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine (CID 170253242) is N,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine.
What is the SMILES notation for N,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine?
The canonical SMILES for N,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine is c1ccc(-c2cccc(-c3nc4ccccc4nc3-c3cc(-c4ccc5cc(N(c6ccccc6)c6ccccc6)ccc5c4)cc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of N,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine?
The InChIKey is UFDYVDUZUSSRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-4-15-36(16-5-1)37-17-14-18-41(32-37)53-54(56-49-25-12-11-24-48(49)55-53)47-34-42(35-51-52(47)46-23-10-13-26-50(46)58-51)39-27-28-40-33-45(30-29-38(40)31-39)57(43-19-6-2-7-20-43)44-21-8-3-9-22-44/h1-35H.
What are the key properties of N,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine?
N,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine has a molecular weight of 741.89 g/mol, XLogP of 14.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine is sourced from PubChem (CID 170253242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).