3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline

C30H21Br2N — CID 121443838

IUPAC3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESBrc1cc(Br)cc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C30H21Br2N/c31-26-19-27(32)21-30(20-26)33(28-16-14-24(15-17-28)22-8-3-1-4-9-22)29-13-7-12-25(18-29)23-10-5-2-6-11-23/h1-21H
InChIKeyKOYZQDDPPVHTTL-UHFFFAOYSA-N
MW555.31 g/mol
LogP10.02
Rot. Bonds5

About 3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline

3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 121443838) has the molecular formula C30H21Br2N and a molecular weight of 555.31 g/mol. Its IUPAC name is 3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID121443838
Molecular FormulaC30H21Br2N
Molecular Weight555.31 g/mol
Exact Mass553.00
IUPAC Name3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESBrc1cc(Br)cc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C30H21Br2N/c31-26-19-27(32)21-30(20-26)33(28-16-14-24(15-17-28)22-8-3-1-4-9-22)29-13-7-12-25(18-29)23-10-5-2-6-11-23/h1-21H
InChIKeyKOYZQDDPPVHTTL-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

3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155424037
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-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline
CID 121327890
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
3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline
CID 58500380

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline (CID 121443838) is 3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline is Brc1cc(Br)cc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is KOYZQDDPPVHTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21Br2N/c31-26-19-27(32)21-30(20-26)33(28-16-14-24(15-17-28)22-8-3-1-4-9-22)29-13-7-12-25(18-29)23-10-5-2-6-11-23/h1-21H.
What are the key properties of 3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline 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 3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121443838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).