N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine

C48H32N2S2 — CID 167087062

IUPACN-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(N(c2cccc(-c3ccccc3N(c3ccccc3)c3cccc4sc5ccccc5c34)c2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C48H32N2S2/c1-3-17-34(18-4-1)49(41-26-14-30-45-47(41)38-23-8-11-28-43(38)51-45)36-21-13-16-33(32-36)37-22-7-10-25-40(37)50(35-19-5-2-6-20-35)42-27-15-31-46-48(42)39-24-9-12-29-44(39)52-46/h1-32H
InChIKeyVEODPVGVNXRPSM-UHFFFAOYSA-N
MW700.93 g/mol
LogP15.03
Rot. Bonds7

About N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine

N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine (PubChem CID 167087062) has the molecular formula C48H32N2S2 and a molecular weight of 700.93 g/mol. Its IUPAC name is N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine
PubChem CID167087062
Molecular FormulaC48H32N2S2
Molecular Weight700.93 g/mol
Exact Mass700.20
IUPAC NameN-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(N(c2cccc(-c3ccccc3N(c3ccccc3)c3cccc4sc5ccccc5c34)c2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C48H32N2S2/c1-3-17-34(18-4-1)49(41-26-14-30-45-47(41)38-23-8-11-28-43(38)51-45)36-21-13-16-33(32-36)37-22-7-10-25-40(37)50(35-19-5-2-6-20-35)42-27-15-31-46-48(42)39-24-9-12-29-44(39)52-46/h1-32H
InChIKeyVEODPVGVNXRPSM-UHFFFAOYSA-N
XLogP15.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.93
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-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-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970
N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744357
N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 164744330
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
N-[3-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086291
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168766669
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167235577
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325681
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
2-[2-(N-(4-dibenzothiophen-1-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167087126
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine
CID 168846152

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine?
The IUPAC name of N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine (CID 167087062) is N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine.
What is the SMILES notation for N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine?
The canonical SMILES for N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine is c1ccc(N(c2cccc(-c3ccccc3N(c3ccccc3)c3cccc4sc5ccccc5c34)c2)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine?
The InChIKey is VEODPVGVNXRPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S2/c1-3-17-34(18-4-1)49(41-26-14-30-45-47(41)38-23-8-11-28-43(38)51-45)36-21-13-16-33(32-36)37-22-7-10-25-40(37)50(35-19-5-2-6-20-35)42-27-15-31-46-48(42)39-24-9-12-29-44(39)52-46/h1-32H.
What are the key properties of N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine?
N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine has a molecular weight of 700.93 g/mol, XLogP of 15.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 167087062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).