3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

C30H22BrN — CID 155424037

IUPAC3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESBrc1cccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C30H22BrN/c31-27-10-7-13-30(22-27)32(28-11-5-2-6-12-28)29-20-18-26(19-21-29)25-16-14-24(15-17-25)23-8-3-1-4-9-23/h1-22H
InChIKeyNSKNLOAEURAFLN-UHFFFAOYSA-N
MW476.42 g/mol
LogP9.25
Rot. Bonds5

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

3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 155424037) has the molecular formula C30H22BrN and a molecular weight of 476.42 g/mol. Its IUPAC name is 3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID155424037
Molecular FormulaC30H22BrN
Molecular Weight476.42 g/mol
Exact Mass475.09
IUPAC Name3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESBrc1cccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C30H22BrN/c31-27-10-7-13-30(22-27)32(28-11-5-2-6-12-28)29-20-18-26(19-21-29)25-16-14-24(15-17-25)23-8-3-1-4-9-23/h1-22H
InChIKeyNSKNLOAEURAFLN-UHFFFAOYSA-N
XLogP9.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.42
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline
CID 58500380
3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 121443838
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
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
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-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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 155424037) is 3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is Brc1cccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c1.
What is the InChIKey of 3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is NSKNLOAEURAFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22BrN/c31-27-10-7-13-30(22-27)32(28-11-5-2-6-12-28)29-20-18-26(19-21-29)25-16-14-24(15-17-25)23-8-3-1-4-9-23/h1-22H.
What are the key properties of 3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 476.42 g/mol, XLogP of 9.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 155424037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).