2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline

C32H34BrN — CID 141426227

IUPAC2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline
SMILESCCCCc1ccc(N(c2ccccc2)c2ccc(CCCC)cc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C32H34BrN/c1-3-5-10-25-14-21-30(22-15-25)34(29-12-8-7-9-13-29)32-23-16-26(11-6-4-2)24-31(32)27-17-19-28(33)20-18-27/h7-9,12-24H,3-6,10-11H2,1-2H3
InChIKeyGNQPGGNSRWJXHH-UHFFFAOYSA-N
MW512.54 g/mol
LogP10.27
Rot. Bonds10

About 2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline

2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline (PubChem CID 141426227) has the molecular formula C32H34BrN and a molecular weight of 512.54 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline
PubChem CID141426227
Molecular FormulaC32H34BrN
Molecular Weight512.54 g/mol
Exact Mass511.19
IUPAC Name2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline
SMILESCCCCc1ccc(N(c2ccccc2)c2ccc(CCCC)cc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C32H34BrN/c1-3-5-10-25-14-21-30(22-15-25)34(29-12-8-7-9-13-29)32-23-16-26(11-6-4-2)24-31(32)27-17-19-28(33)20-18-27/h7-9,12-24H,3-6,10-11H2,1-2H3
InChIKeyGNQPGGNSRWJXHH-UHFFFAOYSA-N
XLogP10.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.54
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-butyl-3-N-[4-butyl-2-(4-butylphenyl)phenyl]-1-N,1-N,3-N-tris(4-butylphenyl)-2-chlorobenzene-1,3-diamine
CID 166928658
2-(5-bromo-2-phenylphenyl)-N,N-bis(4-hexylphenyl)aniline
CID 141426223
N,N-bis(4-bromophenyl)-2,4-diphenylaniline
CID 146208364
1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine
CID 59800413
N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline
CID 58210318
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
N-[4-[4-(4-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 147833739
N-[4-[4-(N-[4-(4-butylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 134376558
N-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline
CID 164836340
3-[2-(4-butylphenyl)-N-[2-(4-butylphenyl)phenyl]anilino]phenol
CID 166662023
N-[4-[4-[4-(4-butyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(4-propylphenyl)aniline
CID 59203915
N,N-diphenyl-4-tetradecylaniline
CID 170668082

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline?
The IUPAC name of 2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline (CID 141426227) is 2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline.
What is the SMILES notation for 2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline?
The canonical SMILES for 2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline is CCCCc1ccc(N(c2ccccc2)c2ccc(CCCC)cc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline?
The InChIKey is GNQPGGNSRWJXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34BrN/c1-3-5-10-25-14-21-30(22-15-25)34(29-12-8-7-9-13-29)32-23-16-26(11-6-4-2)24-31(32)27-17-19-28(33)20-18-27/h7-9,12-24H,3-6,10-11H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline?
2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline has a molecular weight of 512.54 g/mol, XLogP of 10.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-butyl-N-(4-butylphenyl)-N-phenylaniline is sourced from PubChem (CID 141426227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).