N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline

C52H35NS — CID 140919378

IUPACN-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccc6ccccc6c5)c5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H35NS/c1-3-13-36(14-4-1)38-25-29-44(30-26-38)53(50-21-11-9-19-46(50)40-16-5-2-6-17-40)45-31-27-39(28-32-45)43-34-48(42-24-23-37-15-7-8-18-41(37)33-42)52-49(35-43)47-20-10-12-22-51(47)54-52/h1-35H
InChIKeyCVMQACOUKXQJRB-UHFFFAOYSA-N
MW705.93 g/mol
LogP15.35
Rot. Bonds7

About N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline

N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 140919378) has the molecular formula C52H35NS and a molecular weight of 705.93 g/mol. Its IUPAC name is N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
PubChem CID140919378
Molecular FormulaC52H35NS
Molecular Weight705.93 g/mol
Exact Mass705.25
IUPAC NameN-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccc6ccccc6c5)c5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H35NS/c1-3-13-36(14-4-1)38-25-29-44(30-26-38)53(50-21-11-9-19-46(50)40-16-5-2-6-17-40)45-31-27-39(28-32-45)43-34-48(42-24-23-37-15-7-8-18-41(37)33-42)52-49(35-43)47-20-10-12-22-51(47)54-52/h1-35H
InChIKeyCVMQACOUKXQJRB-UHFFFAOYSA-N
XLogP15.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.93
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)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

2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325271
N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline
CID 140919502
N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline
CID 140919485
2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167326214
N-[2-[2-[N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167086407
N-[2-[3-[N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167087052
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-2-phenylaniline
CID 170037218
2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324943
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 140919295
4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine
CID 167086388
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine
CID 169062517

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline (CID 140919378) is N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccc6ccccc6c5)c5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is CVMQACOUKXQJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NS/c1-3-13-36(14-4-1)38-25-29-44(30-26-38)53(50-21-11-9-19-46(50)40-16-5-2-6-17-40)45-31-27-39(28-32-45)43-34-48(42-24-23-37-15-7-8-18-41(37)33-42)52-49(35-43)47-20-10-12-22-51(47)54-52/h1-35H.
What are the key properties of N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 705.93 g/mol, XLogP of 15.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 140919378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).