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

C54H35NO2 — CID 153447895

IUPAC3-(4-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C54H35NO2/c1-3-12-36(13-4-1)38-22-27-42(28-23-38)55(43-29-24-39(25-30-43)37-14-5-2-6-15-37)44-17-11-16-40(34-44)45-32-33-46(54-53(45)49-19-8-10-21-51(49)57-54)41-26-31-48-47-18-7-9-20-50(47)56-52(48)35-41/h1-35H
InChIKeyDVQNNKRDMVYRRH-UHFFFAOYSA-N
MW729.88 g/mol
LogP15.62
Rot. Bonds7

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

3-(4-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 153447895) has the molecular formula C54H35NO2 and a molecular weight of 729.88 g/mol. Its IUPAC name is 3-(4-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(4-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
PubChem CID153447895
Molecular FormulaC54H35NO2
Molecular Weight729.88 g/mol
Exact Mass729.27
IUPAC Name3-(4-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C54H35NO2/c1-3-12-36(13-4-1)38-22-27-42(28-23-38)55(43-29-24-39(25-30-43)37-14-5-2-6-15-37)44-17-11-16-40(34-44)45-32-33-46(54-53(45)49-19-8-10-21-51(49)57-54)41-26-31-48-47-18-7-9-20-50(47)56-52(48)35-41/h1-35H
InChIKeyDVQNNKRDMVYRRH-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-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447932
3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447918
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
4-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;4-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;N-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157296269
N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,3-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161375277
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 166974972
3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline
CID 121443842

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3-(4-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline (CID 153447895) is 3-(4-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(4-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3-(4-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5oc6ccccc6c45)c3)cc2)cc1.
What is the InChIKey of 3-(4-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is DVQNNKRDMVYRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO2/c1-3-12-36(13-4-1)38-22-27-42(28-23-38)55(43-29-24-39(25-30-43)37-14-5-2-6-15-37)44-17-11-16-40(34-44)45-32-33-46(54-53(45)49-19-8-10-21-51(49)57-54)41-26-31-48-47-18-7-9-20-50(47)56-52(48)35-41/h1-35H.
What are the key properties of 3-(4-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline?
3-(4-dibenzofuran-3-yldibenzofuran-1-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-(4-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 153447895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).