N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine

C52H36N2S — CID 166008457

IUPACN-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C52H36N2S/c1-4-15-37(16-5-1)38-27-32-43(33-28-38)53(41-18-6-2-7-19-41)44-34-29-40(30-35-44)51-45-22-11-10-17-39(45)31-36-48(51)54(42-20-8-3-9-21-42)49-25-14-24-47-46-23-12-13-26-50(46)55-52(47)49/h1-36H
InChIKeyHFCUODXEJVPKRE-UHFFFAOYSA-N
MW720.94 g/mol
LogP15.48
Rot. Bonds8

About N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine

N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine (PubChem CID 166008457) has the molecular formula C52H36N2S and a molecular weight of 720.94 g/mol. Its IUPAC name is N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine
PubChem CID166008457
Molecular FormulaC52H36N2S
Molecular Weight720.94 g/mol
Exact Mass720.26
IUPAC NameN-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C52H36N2S/c1-4-15-37(16-5-1)38-27-32-43(33-28-38)53(41-18-6-2-7-19-41)44-34-29-40(30-35-44)51-45-22-11-10-17-39(45)31-36-48(51)54(42-20-8-3-9-21-42)49-25-14-24-47-46-23-12-13-26-50(46)55-52(47)49/h1-36H
InChIKeyHFCUODXEJVPKRE-UHFFFAOYSA-N
XLogP15.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.94
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine 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-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-dibenzothiophen-4-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170239480
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine
CID 153299777
1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 156522856
N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098573
N-dibenzothiophen-4-yl-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-4-amine
CID 138718885
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 164957080
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502003
N-(4-naphthalen-1-ylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-3-yl]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzothiophen-3-yl]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 159263484

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine?
The IUPAC name of N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine (CID 166008457) is N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine.
What is the SMILES notation for N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine?
The canonical SMILES for N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine?
The InChIKey is HFCUODXEJVPKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2S/c1-4-15-37(16-5-1)38-27-32-43(33-28-38)53(41-18-6-2-7-19-41)44-34-29-40(30-35-44)51-45-22-11-10-17-39(45)31-36-48(51)54(42-20-8-3-9-21-42)49-25-14-24-47-46-23-12-13-26-50(46)55-52(47)49/h1-36H.
What are the key properties of N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine?
N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine has a molecular weight of 720.94 g/mol, XLogP of 15.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine is sourced from PubChem (CID 166008457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).