1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine

C24H18Br2N2 — CID 141276562

IUPAC1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine
SMILESBrc1ccc(Nc2ccc(Nc3ccc(Br)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H18Br2N2/c25-18-6-10-20(11-7-18)27-22-14-15-24(28-21-12-8-19(26)9-13-21)23(16-22)17-4-2-1-3-5-17/h1-16,27-28H
InChIKeyMUDNGPKFKCTRSF-UHFFFAOYSA-N
MW494.23 g/mol
LogP8.37
Rot. Bonds5

About 1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine

1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine (PubChem CID 141276562) has the molecular formula C24H18Br2N2 and a molecular weight of 494.23 g/mol. Its IUPAC name is 1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine
PubChem CID141276562
Molecular FormulaC24H18Br2N2
Molecular Weight494.23 g/mol
Exact Mass491.98
IUPAC Name1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine
SMILESBrc1ccc(Nc2ccc(Nc3ccc(Br)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H18Br2N2/c25-18-6-10-20(11-7-18)27-22-14-15-24(28-21-12-8-19(26)9-13-21)23(16-22)17-4-2-1-3-5-17/h1-16,27-28H
InChIKeyMUDNGPKFKCTRSF-UHFFFAOYSA-N
XLogP8.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.23
LogP ≤ 58.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(4-bromophenyl)-2-(2-phenylphenyl)aniline
CID 141276570
N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
CID 121262444
4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118907736
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 90153748
2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline
CID 155123182
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline
CID 118176553
benzene;N,2-diphenylaniline
CID 175029921
1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 169027344
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
1-bromo-4-phenylbenzene;methane;4-phenylaniline;4-phenyl-N-(4-phenylphenyl)aniline
CID 157224558

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine (CID 141276562) is 1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine is Brc1ccc(Nc2ccc(Nc3ccc(Br)cc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine?
The InChIKey is MUDNGPKFKCTRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Br2N2/c25-18-6-10-20(11-7-18)27-22-14-15-24(28-21-12-8-19(26)9-13-21)23(16-22)17-4-2-1-3-5-17/h1-16,27-28H.
What are the key properties of 1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine?
1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine has a molecular weight of 494.23 g/mol, XLogP of 8.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine is sourced from PubChem (CID 141276562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).