N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline

C48H33NO — CID 118405810

IUPACN-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C48H33NO/c1-4-12-34(13-5-1)37-20-25-42(26-21-37)49(44-31-40(35-14-6-2-7-15-35)30-41(32-44)36-16-8-3-9-17-36)43-27-22-38(23-28-43)39-24-29-48-46(33-39)45-18-10-11-19-47(45)50-48/h1-33H
InChIKeyBXVQTIFKPBLSBO-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

About N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline

N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline (PubChem CID 118405810) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
PubChem CID118405810
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C48H33NO/c1-4-12-34(13-5-1)37-20-25-42(26-21-37)49(44-31-40(35-14-6-2-7-15-35)30-41(32-44)36-16-8-3-9-17-36)43-27-22-38(23-28-43)39-24-29-48-46(33-39)45-18-10-11-19-47(45)50-48/h1-33H
InChIKeyBXVQTIFKPBLSBO-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline
CID 121449955
N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine
CID 118214562
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605062
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 118428337
N,N-bis(4-dibenzofuran-2-ylphenyl)-3,5-diphenylaniline;N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 157066218
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 121383373

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline (CID 118405810) is N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline?
The InChIKey is BXVQTIFKPBLSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-4-12-34(13-5-1)37-20-25-42(26-21-37)49(44-31-40(35-14-6-2-7-15-35)30-41(32-44)36-16-8-3-9-17-36)43-27-22-38(23-28-43)39-24-29-48-46(33-39)45-18-10-11-19-47(45)50-48/h1-33H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline?
N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline has a molecular weight of 639.80 g/mol, XLogP of 13.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118405810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).