N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline

C42H32BrN — CID 170214346

IUPACN-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline
SMILESBrc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccccc4)c(C4C=CC=CC4)c3)cc2)cc1
InChIInChI=1S/C42H32BrN/c43-37-21-27-40(28-22-37)44(38-23-16-32(17-24-38)31-10-4-1-5-11-31)39-25-18-33(19-26-39)36-20-29-41(34-12-6-2-7-13-34)42(30-36)35-14-8-3-9-15-35/h1-14,16-30,35H,15H2
InChIKeyHFGNKDOAMMCLMX-UHFFFAOYSA-N
MW630.63 g/mol
LogP12.52
Rot. Bonds7

About N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline

N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline (PubChem CID 170214346) has the molecular formula C42H32BrN and a molecular weight of 630.63 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline
PubChem CID170214346
Molecular FormulaC42H32BrN
Molecular Weight630.63 g/mol
Exact Mass629.17
IUPAC NameN-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline
SMILESBrc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccccc4)c(C4C=CC=CC4)c3)cc2)cc1
InChIInChI=1S/C42H32BrN/c43-37-21-27-40(28-22-37)44(38-23-16-32(17-24-38)31-10-4-1-5-11-31)39-25-18-33(19-26-39)36-20-29-41(34-12-6-2-7-13-34)42(30-36)35-14-8-3-9-15-35/h1-14,16-30,35H,15H2
InChIKeyHFGNKDOAMMCLMX-UHFFFAOYSA-N
XLogP12.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.63
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline 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-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
N-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 90087282
N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline
CID 153293994
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 167297637
N,N-bis(4-bromophenyl)-2,4-diphenylaniline
CID 146208364
N-[3-(7-cyclohexa-2,4-dien-1-yl-5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167253532
10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine
CID 89378193
4-cyclohexa-2,4-dien-1-yl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]aniline
CID 145474495
7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 89074881
N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline
CID 121327890
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline?
The IUPAC name of N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline (CID 170214346) is N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline is Brc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccccc4)c(C4C=CC=CC4)c3)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline?
The InChIKey is HFGNKDOAMMCLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32BrN/c43-37-21-27-40(28-22-37)44(38-23-16-32(17-24-38)31-10-4-1-5-11-31)39-25-18-33(19-26-39)36-20-29-41(34-12-6-2-7-13-34)42(30-36)35-14-8-3-9-15-35/h1-14,16-30,35H,15H2.
What are the key properties of N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline?
N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline has a molecular weight of 630.63 g/mol, XLogP of 12.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 170214346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).