3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline

C42H27NO2 — CID 121449955

IUPAC3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C42H27NO2/c1-3-11-32(12-4-1)43(33-13-5-2-6-14-33)34-24-30(28-19-21-41-37(26-28)35-15-7-9-17-39(35)44-41)23-31(25-34)29-20-22-42-38(27-29)36-16-8-10-18-40(36)45-42/h1-27H
InChIKeyBFQNJWQHRJJNJR-UHFFFAOYSA-N
MW577.68 g/mol
LogP12.29
Rot. Bonds5

About 3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline

3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline (PubChem CID 121449955) has the molecular formula C42H27NO2 and a molecular weight of 577.68 g/mol. Its IUPAC name is 3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline
PubChem CID121449955
Molecular FormulaC42H27NO2
Molecular Weight577.68 g/mol
Exact Mass577.20
IUPAC Name3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C42H27NO2/c1-3-11-32(12-4-1)43(33-13-5-2-6-14-33)34-24-30(28-19-21-41-37(26-28)35-15-7-9-17-39(35)44-41)23-31(25-34)29-20-22-42-38(27-29)36-16-8-10-18-40(36)45-42/h1-27H
InChIKeyBFQNJWQHRJJNJR-UHFFFAOYSA-N
XLogP12.29
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.68
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 118405810
1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605062
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
N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine
CID 118214562
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 118428337
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
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-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419

Frequently Asked Questions

What is the IUPAC name of 3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline?
The IUPAC name of 3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline (CID 121449955) is 3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)cc1.
What is the InChIKey of 3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline?
The InChIKey is BFQNJWQHRJJNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO2/c1-3-11-32(12-4-1)43(33-13-5-2-6-14-33)34-24-30(28-19-21-41-37(26-28)35-15-7-9-17-39(35)44-41)23-31(25-34)29-20-22-42-38(27-29)36-16-8-10-18-40(36)45-42/h1-27H.
What are the key properties of 3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline?
3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline has a molecular weight of 577.68 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 121449955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).