4-(4-bromophenyl)-N,N-diphenylaniline;ethane

C26H24BrN — CID 143813884

IUPAC4-(4-bromophenyl)-N,N-diphenylaniline;ethane
SMILESBrc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.CC
InChIInChI=1S/C24H18BrN.C2H6/c25-21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23;1-2/h1-18H;1-2H3
InChIKeyQRUUPCMBWINARJ-UHFFFAOYSA-N
MW430.39 g/mol
LogP8.61
Rot. Bonds4

About 4-(4-bromophenyl)-N,N-diphenylaniline;ethane

4-(4-bromophenyl)-N,N-diphenylaniline;ethane (PubChem CID 143813884) has the molecular formula C26H24BrN and a molecular weight of 430.39 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N,N-diphenylaniline;ethane.

Molecular Properties

Compound Name4-(4-bromophenyl)-N,N-diphenylaniline;ethane
PubChem CID143813884
Molecular FormulaC26H24BrN
Molecular Weight430.39 g/mol
Exact Mass429.11
IUPAC Name4-(4-bromophenyl)-N,N-diphenylaniline;ethane
SMILESBrc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.CC
InChIInChI=1S/C24H18BrN.C2H6/c25-21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23;1-2/h1-18H;1-2H3
InChIKeyQRUUPCMBWINARJ-UHFFFAOYSA-N
XLogP8.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.39
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline
CID 121327890
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline
CID 159014382
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N,N-diphenylaniline;ethane?
The IUPAC name of 4-(4-bromophenyl)-N,N-diphenylaniline;ethane (CID 143813884) is 4-(4-bromophenyl)-N,N-diphenylaniline;ethane.
What is the SMILES notation for 4-(4-bromophenyl)-N,N-diphenylaniline;ethane?
The canonical SMILES for 4-(4-bromophenyl)-N,N-diphenylaniline;ethane is Brc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.CC.
What is the InChIKey of 4-(4-bromophenyl)-N,N-diphenylaniline;ethane?
The InChIKey is QRUUPCMBWINARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN.C2H6/c25-21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23;1-2/h1-18H;1-2H3.
What are the key properties of 4-(4-bromophenyl)-N,N-diphenylaniline;ethane?
4-(4-bromophenyl)-N,N-diphenylaniline;ethane has a molecular weight of 430.39 g/mol, XLogP of 8.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N,N-diphenylaniline;ethane is sourced from PubChem (CID 143813884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).