N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine

C48H31N3O — CID 176818100

IUPACN-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3ccc(-c5nc6ccccc6nc5-c5ccccc5)cc34)c2)cc1
InChIInChI=1S/C48H31N3O/c1-3-12-32(13-4-1)36-18-11-19-38(28-36)51(39-24-22-33-14-7-8-17-35(33)29-39)40-25-26-41-42-30-37(23-27-45(42)52-46(41)31-40)48-47(34-15-5-2-6-16-34)49-43-20-9-10-21-44(43)50-48/h1-31H
InChIKeyTZSYXYWMZOSKCD-UHFFFAOYSA-N
MW665.80 g/mol
LogP13.15
Rot. Bonds6

About N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine

N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine (PubChem CID 176818100) has the molecular formula C48H31N3O and a molecular weight of 665.80 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine
PubChem CID176818100
Molecular FormulaC48H31N3O
Molecular Weight665.80 g/mol
Exact Mass665.25
IUPAC NameN-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3ccc(-c5nc6ccccc6nc5-c5ccccc5)cc34)c2)cc1
InChIInChI=1S/C48H31N3O/c1-3-12-32(13-4-1)36-18-11-19-38(28-36)51(39-24-22-33-14-7-8-17-35(33)29-39)40-25-26-41-42-30-37(23-27-45(42)52-46(41)31-40)48-47(34-15-5-2-6-16-34)49-43-20-9-10-21-44(43)50-48/h1-31H
InChIKeyTZSYXYWMZOSKCD-UHFFFAOYSA-N
XLogP13.15
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-2-yl-N-[3-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]naphthalen-2-amine
CID 130208137
N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine
CID 170093374
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 166566331
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
N-naphthalen-2-yl-8-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 176817691
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167127103
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023
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-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137527
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine?
The IUPAC name of N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine (CID 176818100) is N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine is c1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3ccc(-c5nc6ccccc6nc5-c5ccccc5)cc34)c2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine?
The InChIKey is TZSYXYWMZOSKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O/c1-3-12-32(13-4-1)36-18-11-19-38(28-36)51(39-24-22-33-14-7-8-17-35(33)29-39)40-25-26-41-42-30-37(23-27-45(42)52-46(41)31-40)48-47(34-15-5-2-6-16-34)49-43-20-9-10-21-44(43)50-48/h1-31H.
What are the key properties of N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine?
N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine has a molecular weight of 665.80 g/mol, XLogP of 13.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 176818100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).