N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline

C54H37NS — CID 121261293

IUPACN-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C54H37NS/c1-3-13-38(14-4-1)39-25-31-45(32-26-39)55(47-35-29-42(30-36-47)49-20-8-7-19-48(49)41-15-5-2-6-16-41)46-33-27-40(28-34-46)43-17-11-18-44(37-43)50-22-12-23-52-51-21-9-10-24-53(51)56-54(50)52/h1-37H
InChIKeyUAWSJTFCPMFLBL-UHFFFAOYSA-N
MW731.96 g/mol
LogP15.86
Rot. Bonds8

About N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline

N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline (PubChem CID 121261293) has the molecular formula C54H37NS and a molecular weight of 731.96 g/mol. Its IUPAC name is N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
PubChem CID121261293
Molecular FormulaC54H37NS
Molecular Weight731.96 g/mol
Exact Mass731.26
IUPAC NameN-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C54H37NS/c1-3-13-38(14-4-1)39-25-31-45(32-26-39)55(47-35-29-42(30-36-47)49-20-8-7-19-48(49)41-15-5-2-6-16-41)46-33-27-40(28-34-46)43-17-11-18-44(37-43)50-22-12-23-52-51-21-9-10-24-53(51)56-54(50)52/h1-37H
InChIKeyUAWSJTFCPMFLBL-UHFFFAOYSA-N
XLogP15.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.96
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline 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

N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 164831578
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 121261297
4-[4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]phenyl]-N,N-diphenylaniline
CID 90076337
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline;4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 158485457
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline (CID 121261293) is N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline?
The InChIKey is UAWSJTFCPMFLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NS/c1-3-13-38(14-4-1)39-25-31-45(32-26-39)55(47-35-29-42(30-36-47)49-20-8-7-19-48(49)41-15-5-2-6-16-41)46-33-27-40(28-34-46)43-17-11-18-44(37-43)50-22-12-23-52-51-21-9-10-24-53(51)56-54(50)52/h1-37H.
What are the key properties of N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline?
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline has a molecular weight of 731.96 g/mol, XLogP of 15.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 121261293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).