N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline

C36H26BrN — CID 142746533

IUPACN-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline
SMILESBrc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H26BrN/c37-32-22-18-28(19-23-32)29-20-24-33(25-21-29)38(34-15-9-14-31(26-34)27-10-3-1-4-11-27)36-17-8-7-16-35(36)30-12-5-2-6-13-30/h1-26H
InChIKeyRYGXOFAGDRFAEH-UHFFFAOYSA-N
MW552.52 g/mol
LogP10.92
Rot. Bonds6

About N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline

N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline (PubChem CID 142746533) has the molecular formula C36H26BrN and a molecular weight of 552.52 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline
PubChem CID142746533
Molecular FormulaC36H26BrN
Molecular Weight552.52 g/mol
Exact Mass551.12
IUPAC NameN-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline
SMILESBrc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H26BrN/c37-32-22-18-28(19-23-32)29-20-24-33(25-21-29)38(34-15-9-14-31(26-34)27-10-3-1-4-11-27)36-17-8-7-16-35(36)30-12-5-2-6-13-30/h1-26H
InChIKeyRYGXOFAGDRFAEH-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

2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391
N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]aniline
CID 139322197
N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502893
N-[4-[4-(4-bromo-N-(2-phenylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)-2-phenylaniline
CID 155198907
N,N-bis(4-bromophenyl)-2,4-diphenylaniline
CID 146208364
2-phenyl-N-(2-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 159522014
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
N,2-diphenyl-N-[4-[3-[3-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N,3-diphenyl-N-[4-[3-[3-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N-[4-[3-[3-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-[3-[3-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158453384
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline?
The IUPAC name of N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline (CID 142746533) is N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline is Brc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline?
The InChIKey is RYGXOFAGDRFAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26BrN/c37-32-22-18-28(19-23-32)29-20-24-33(25-21-29)38(34-15-9-14-31(26-34)27-10-3-1-4-11-27)36-17-8-7-16-35(36)30-12-5-2-6-13-30/h1-26H.
What are the key properties of N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline?
N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline 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]-2-phenyl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 142746533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).