N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline

C50H33N3O — CID 176817789

IUPACN-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)oc4cccc(-c6nc7ccccc7nc6-c6ccccc6)c45)c3)cc2)cc1
InChIInChI=1S/C50H33N3O/c1-4-14-34(15-5-1)35-26-29-40(30-27-35)53(39-19-8-3-9-20-39)41-21-12-18-37(32-41)38-28-31-42-47(33-38)54-46-25-13-22-43(48(42)46)50-49(36-16-6-2-7-17-36)51-44-23-10-11-24-45(44)52-50/h1-33H
InChIKeyOIVVXJVIQVHOOM-UHFFFAOYSA-N
MW691.83 g/mol
LogP13.67
Rot. Bonds7

About N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline

N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline (PubChem CID 176817789) has the molecular formula C50H33N3O and a molecular weight of 691.83 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline
PubChem CID176817789
Molecular FormulaC50H33N3O
Molecular Weight691.83 g/mol
Exact Mass691.26
IUPAC NameN-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)oc4cccc(-c6nc7ccccc7nc6-c6ccccc6)c45)c3)cc2)cc1
InChIInChI=1S/C50H33N3O/c1-4-14-34(15-5-1)35-26-29-40(30-27-35)53(39-19-8-3-9-20-39)41-21-12-18-37(32-41)38-28-31-42-47(33-38)54-46-25-13-22-43(48(42)46)50-49(36-16-6-2-7-17-36)51-44-23-10-11-24-45(44)52-50/h1-33H
InChIKeyOIVVXJVIQVHOOM-UHFFFAOYSA-N
XLogP13.67
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.83
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 59702508
7-dibenzofuran-1-yl-2,4-diphenylquinazoline;2-(4-dibenzofuran-1-ylphenyl)-3-[3-(3-phenylquinoxalin-2-yl)phenyl]quinoxaline;3-[3-(4-dibenzofuran-1-ylphenyl)quinoxalin-2-yl]-N,N-diphenylaniline;2,3-di(dibenzofuran-1-yl)quinoxaline
CID 164954075
N,N-diphenyl-6-[1-[3-(3-phenylphenyl)quinoxalin-2-yl]dibenzofuran-3-yl]naphthalen-2-amine
CID 170253242
N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine
CID 171597107
4-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 177081739
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
N,N-diphenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]aniline
CID 171757052
3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170776807
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine
CID 176818100
N,4-diphenyl-N-[4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]aniline
CID 171757172

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline (CID 176817789) is N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)oc4cccc(-c6nc7ccccc7nc6-c6ccccc6)c45)c3)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline?
The InChIKey is OIVVXJVIQVHOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3O/c1-4-14-34(15-5-1)35-26-29-40(30-27-35)53(39-19-8-3-9-20-39)41-21-12-18-37(32-41)38-28-31-42-47(33-38)54-46-25-13-22-43(48(42)46)50-49(36-16-6-2-7-17-36)51-44-23-10-11-24-45(44)52-50/h1-33H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline?
N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline has a molecular weight of 691.83 g/mol, XLogP of 13.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline is sourced from PubChem (CID 176817789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).