3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline

C54H35NO2 — CID 153447932

IUPAC3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5cccc6oc7ccccc7c56)c5c4oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C54H35NO2/c1-3-13-36(14-4-1)38-25-29-41(30-26-38)55(42-31-27-39(28-32-42)37-15-5-2-6-16-37)43-18-11-17-40(35-43)44-33-34-46(53-48-20-8-10-23-50(48)57-54(44)53)45-21-12-24-51-52(45)47-19-7-9-22-49(47)56-51/h1-35H
InChIKeyJEUQEZCJSBJXBF-UHFFFAOYSA-N
MW729.88 g/mol
LogP15.62
Rot. Bonds7

About 3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline

3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 153447932) has the molecular formula C54H35NO2 and a molecular weight of 729.88 g/mol. Its IUPAC name is 3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
PubChem CID153447932
Molecular FormulaC54H35NO2
Molecular Weight729.88 g/mol
Exact Mass729.27
IUPAC Name3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5cccc6oc7ccccc7c56)c5c4oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C54H35NO2/c1-3-13-36(14-4-1)38-25-29-41(30-26-38)55(42-31-27-39(28-32-42)37-15-5-2-6-16-37)43-18-11-17-40(35-43)44-33-34-46(53-48-20-8-10-23-50(48)57-54(44)53)45-21-12-24-51-52(45)47-19-7-9-22-49(47)56-51/h1-35H
InChIKeyJEUQEZCJSBJXBF-UHFFFAOYSA-N
XLogP15.62
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447895
3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447918
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-2-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 167086977
9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 174244522
2-[3-(N-(4-dibenzofuran-1-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167087132
N-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 166974972
N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 164831812
3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134198198
4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176824526
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170032090

Frequently Asked Questions

What is the IUPAC name of 3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline (CID 153447932) is 3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5cccc6oc7ccccc7c56)c5c4oc4ccccc45)c3)cc2)cc1.
What is the InChIKey of 3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is JEUQEZCJSBJXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO2/c1-3-13-36(14-4-1)38-25-29-41(30-26-38)55(42-31-27-39(28-32-42)37-15-5-2-6-16-37)43-18-11-17-40(35-43)44-33-34-46(53-48-20-8-10-23-50(48)57-54(44)53)45-21-12-24-51-52(45)47-19-7-9-22-49(47)56-51/h1-35H.
What are the key properties of 3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline?
3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 729.88 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 153447932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).