N,N-bis(4-bromophenyl)-2,4-diphenylaniline

C30H21Br2N — CID 146208364

IUPACN,N-bis(4-bromophenyl)-2,4-diphenylaniline
SMILESBrc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C30H21Br2N/c31-25-12-16-27(17-13-25)33(28-18-14-26(32)15-19-28)30-20-11-24(22-7-3-1-4-8-22)21-29(30)23-9-5-2-6-10-23/h1-21H
InChIKeyUHGUVMXXKHQZPC-UHFFFAOYSA-N
MW555.31 g/mol
LogP10.02
Rot. Bonds5

About N,N-bis(4-bromophenyl)-2,4-diphenylaniline

N,N-bis(4-bromophenyl)-2,4-diphenylaniline (PubChem CID 146208364) has the molecular formula C30H21Br2N and a molecular weight of 555.31 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-2,4-diphenylaniline.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-2,4-diphenylaniline
PubChem CID146208364
Molecular FormulaC30H21Br2N
Molecular Weight555.31 g/mol
Exact Mass553.00
IUPAC NameN,N-bis(4-bromophenyl)-2,4-diphenylaniline
SMILESBrc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C30H21Br2N/c31-25-12-16-27(17-13-25)33(28-18-14-26(32)15-19-28)30-20-11-24(22-7-3-1-4-8-22)21-29(30)23-9-5-2-6-10-23/h1-21H
InChIKeyUHGUVMXXKHQZPC-UHFFFAOYSA-N
XLogP10.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.31
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
N-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline
CID 170413315
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline
CID 142746533
N-[4-[4-(4-bromo-N-(2-phenylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)-2-phenylaniline
CID 155198907
2,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254200
4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
CID 157245116
N,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane
CID 170567518
N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline
CID 155123170

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-2,4-diphenylaniline?
The IUPAC name of N,N-bis(4-bromophenyl)-2,4-diphenylaniline (CID 146208364) is N,N-bis(4-bromophenyl)-2,4-diphenylaniline.
What is the SMILES notation for N,N-bis(4-bromophenyl)-2,4-diphenylaniline?
The canonical SMILES for N,N-bis(4-bromophenyl)-2,4-diphenylaniline is Brc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N,N-bis(4-bromophenyl)-2,4-diphenylaniline?
The InChIKey is UHGUVMXXKHQZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21Br2N/c31-25-12-16-27(17-13-25)33(28-18-14-26(32)15-19-28)30-20-11-24(22-7-3-1-4-8-22)21-29(30)23-9-5-2-6-10-23/h1-21H.
What are the key properties of N,N-bis(4-bromophenyl)-2,4-diphenylaniline?
N,N-bis(4-bromophenyl)-2,4-diphenylaniline has a molecular weight of 555.31 g/mol, XLogP of 10.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromophenyl)-2,4-diphenylaniline is sourced from PubChem (CID 146208364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).