N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine

C48H31N3O — CID 169048372

IUPACN-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc(-c4nc5ccccc5nc4-c4ccccc4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C48H31N3O/c1-3-13-32(14-4-1)34-23-26-37(27-24-34)51(38-28-25-33-15-7-8-18-36(33)31-38)43-30-29-40(45-39-19-9-12-22-44(39)52-48(43)45)47-46(35-16-5-2-6-17-35)49-41-20-10-11-21-42(41)50-47/h1-31H
InChIKeyXQIMXOZXZXLXLS-UHFFFAOYSA-N
MW665.80 g/mol
LogP13.15
Rot. Bonds6

About N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine

N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine (PubChem CID 169048372) has the molecular formula C48H31N3O and a molecular weight of 665.80 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine
PubChem CID169048372
Molecular FormulaC48H31N3O
Molecular Weight665.80 g/mol
Exact Mass665.25
IUPAC NameN-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc(-c4nc5ccccc5nc4-c4ccccc4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C48H31N3O/c1-3-13-32(14-4-1)34-23-26-37(27-24-34)51(38-28-25-33-15-7-8-18-36(33)31-38)43-30-29-40(45-39-19-9-12-22-44(39)52-48(43)45)47-46(35-16-5-2-6-17-35)49-41-20-10-11-21-42(41)50-47/h1-31H
InChIKeyXQIMXOZXZXLXLS-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-phenyl-1-[4-(3-phenylquinoxalin-2-yl)phenyl]dibenzofuran-4-amine
CID 169048415
N-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine
CID 169048396
N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(4-phenylquinazolin-2-yl)dibenzofuran-4-amine
CID 169048382
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine
CID 171434822
N-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine
CID 166974704
N-naphthalen-1-yl-N-[4-[1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-yl]phenyl]naphthalen-1-amine
CID 166975703
N-phenanthren-3-yl-1-(4-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 176820600
4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069342
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434660
4-naphthalen-2-yl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069783
N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820562
N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 176820694

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine?
The IUPAC name of N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine (CID 169048372) is N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc(-c4nc5ccccc5nc4-c4ccccc4)c4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine?
The InChIKey is XQIMXOZXZXLXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O/c1-3-13-32(14-4-1)34-23-26-37(27-24-34)51(38-28-25-33-15-7-8-18-36(33)31-38)43-30-29-40(45-39-19-9-12-22-44(39)52-48(43)45)47-46(35-16-5-2-6-17-35)49-41-20-10-11-21-42(41)50-47/h1-31H.
What are the key properties of N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine?
N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-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-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 169048372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).