N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline

C36H25Br2N — CID 153293994

IUPACN,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline
SMILESBrc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C36H25Br2N/c37-30-15-19-32(20-16-30)39(33-21-17-31(38)18-22-33)34-23-24-35(36(25-34)28-9-5-2-6-10-28)29-13-11-27(12-14-29)26-7-3-1-4-8-26/h1-25H
InChIKeyWCAARXLJNCUDKD-UHFFFAOYSA-N
MW631.41 g/mol
LogP11.68
Rot. Bonds6

About N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline

N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline (PubChem CID 153293994) has the molecular formula C36H25Br2N and a molecular weight of 631.41 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline
PubChem CID153293994
Molecular FormulaC36H25Br2N
Molecular Weight631.41 g/mol
Exact Mass629.04
IUPAC NameN,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline
SMILESBrc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C36H25Br2N/c37-30-15-19-32(20-16-30)39(33-21-17-31(38)18-22-33)34-23-24-35(36(25-34)28-9-5-2-6-10-28)29-13-11-27(12-14-29)26-7-3-1-4-8-26/h1-25H
InChIKeyWCAARXLJNCUDKD-UHFFFAOYSA-N
XLogP11.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.41
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline
CID 153294011
1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine
CID 155010301
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline
CID 121327890
N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 126702741
N,N-bis(4-bromophenyl)-2,4-diphenylaniline
CID 146208364
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177080967
4-(4-bromophenyl)-N,N-diphenylaniline;ethane
CID 143813884

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline?
The IUPAC name of N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline (CID 153293994) is N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline?
The canonical SMILES for N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline is Brc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline?
The InChIKey is WCAARXLJNCUDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25Br2N/c37-30-15-19-32(20-16-30)39(33-21-17-31(38)18-22-33)34-23-24-35(36(25-34)28-9-5-2-6-10-28)29-13-11-27(12-14-29)26-7-3-1-4-8-26/h1-25H.
What are the key properties of N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline?
N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline has a molecular weight of 631.41 g/mol, XLogP of 11.68, 6 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)-3-phenyl-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 153293994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).