3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline

C36H24BrNO — CID 121443842

IUPAC3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline
SMILESBrc1ccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)c(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C36H24BrNO/c37-27-19-21-31(34(24-27)26-18-20-33-32-16-7-8-17-35(32)39-36(33)23-26)25-10-9-15-30(22-25)38(28-11-3-1-4-12-28)29-13-5-2-6-14-29/h1-24H
InChIKeyWZRXGPMTFSSZDU-UHFFFAOYSA-N
MW566.50 g/mol
LogP11.15
Rot. Bonds5

About 3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline

3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline (PubChem CID 121443842) has the molecular formula C36H24BrNO and a molecular weight of 566.50 g/mol. Its IUPAC name is 3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline
PubChem CID121443842
Molecular FormulaC36H24BrNO
Molecular Weight566.50 g/mol
Exact Mass565.10
IUPAC Name3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline
SMILESBrc1ccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)c(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C36H24BrNO/c37-27-19-21-31(34(24-27)26-18-20-33-32-16-7-8-17-35(32)39-36(33)23-26)25-10-9-15-30(22-25)38(28-11-3-1-4-12-28)29-13-5-2-6-14-29/h1-24H
InChIKeyWZRXGPMTFSSZDU-UHFFFAOYSA-N
XLogP11.15
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.50
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 121443840
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
3-(4-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447895
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
3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449954
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
3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449953
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-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline?
The IUPAC name of 3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline (CID 121443842) is 3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline.
What is the SMILES notation for 3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline?
The canonical SMILES for 3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline is Brc1ccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)c(-c2ccc3c(c2)oc2ccccc23)c1.
What is the InChIKey of 3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline?
The InChIKey is WZRXGPMTFSSZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24BrNO/c37-27-19-21-31(34(24-27)26-18-20-33-32-16-7-8-17-35(32)39-36(33)23-26)25-10-9-15-30(22-25)38(28-11-3-1-4-12-28)29-13-5-2-6-14-29/h1-24H.
What are the key properties of 3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline?
3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline has a molecular weight of 566.50 g/mol, XLogP of 11.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline is sourced from PubChem (CID 121443842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).