N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline

C36H26BrN — CID 121327890

IUPACN-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline
SMILESBrc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C36H26BrN/c37-33-20-16-29(17-21-33)30-18-22-35(23-19-30)38(34-14-8-3-9-15-34)36-25-31(27-10-4-1-5-11-27)24-32(26-36)28-12-6-2-7-13-28/h1-26H
InChIKeyJHXUWOFHSCVMAN-UHFFFAOYSA-N
MW552.52 g/mol
LogP10.92
Rot. Bonds6

About N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline

N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline (PubChem CID 121327890) has the molecular formula C36H26BrN and a molecular weight of 552.52 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline
PubChem CID121327890
Molecular FormulaC36H26BrN
Molecular Weight552.52 g/mol
Exact Mass551.12
IUPAC NameN-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline
SMILESBrc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C36H26BrN/c37-33-20-16-29(17-21-33)30-18-22-35(23-19-30)38(34-14-8-3-9-15-34)36-25-31(27-10-4-1-5-11-27)24-32(26-36)28-12-6-2-7-13-28/h1-26H
InChIKeyJHXUWOFHSCVMAN-UHFFFAOYSA-N
XLogP10.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.52
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]phenyl]phenyl]-N,3,5-triphenylaniline;3,5-diphenyl-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-phenylphenyl)anilino)phenyl]phenyl]aniline;N,3,5-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159721159
N,N-diphenyl-4-[3-phenyl-5-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 121368277
N-[4-[4-(N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline;3,5-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 161155086
4-(4-bromophenyl)-N,N-diphenylaniline;ethane
CID 143813884
3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 121443838
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
N,N-diphenylaniline;N,4-diphenyl-N-(4-phenylphenyl)aniline;ethane;3-phenyl-N,N-bis(3-phenylphenyl)aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;N,N,4-triphenylaniline;N,3,5-triphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159185873
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline?
The IUPAC name of N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline (CID 121327890) is N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline.
What is the SMILES notation for N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline?
The canonical SMILES for N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline is Brc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline?
The InChIKey is JHXUWOFHSCVMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26BrN/c37-33-20-16-29(17-21-33)30-18-22-35(23-19-30)38(34-14-8-3-9-15-34)36-25-31(27-10-4-1-5-11-27)24-32(26-36)28-12-6-2-7-13-28/h1-26H.
What are the key properties of N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline?
N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline has a molecular weight of 552.52 g/mol, XLogP of 10.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline is sourced from PubChem (CID 121327890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).