N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine

C68H46N2S — CID 167086408

IUPACN-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C68H46N2S/c1-2-17-47(18-3-1)53-23-14-24-57(46-53)70(66-33-16-30-63-62-28-10-13-34-67(62)71-68(63)66)65-32-12-9-27-61(65)60-26-8-11-31-64(60)69(55-41-37-49(38-42-55)54-36-35-48-19-4-5-21-52(48)45-54)56-43-39-51(40-44-56)59-29-15-22-50-20-6-7-25-58(50)59/h1-46H
InChIKeyWADGPQFKCRLECH-UHFFFAOYSA-N
MW923.20 g/mol
LogP19.97
Rot. Bonds10

About N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine

N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 167086408) has the molecular formula C68H46N2S and a molecular weight of 923.20 g/mol. Its IUPAC name is N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
PubChem CID167086408
Molecular FormulaC68H46N2S
Molecular Weight923.20 g/mol
Exact Mass922.34
IUPAC NameN-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C68H46N2S/c1-2-17-47(18-3-1)53-23-14-24-57(46-53)70(66-33-16-30-63-62-28-10-13-34-67(62)71-68(63)66)65-32-12-9-27-61(65)60-26-8-11-31-64(60)69(55-41-37-49(38-42-55)54-36-35-48-19-4-5-21-52(48)45-54)56-43-39-51(40-44-56)59-29-15-22-50-20-6-7-25-58(50)59/h1-46H
InChIKeyWADGPQFKCRLECH-UHFFFAOYSA-N
XLogP19.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.20
LogP ≤ 519.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)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-[2-[2-[N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167086407
N-[2-[2-(N-dibenzothiophen-4-yl-3-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167086859
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172500806
N-(4-naphthalen-1-ylphenyl)-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605660
N-[4-(8-phenylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 176590511
N-[2-[3-[N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167087052
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
N-(4-phenylnaphthalen-1-yl)-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 158866237
2-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326060
N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086636
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502003

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine (CID 167086408) is N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine is c1ccc(-c2cccc(N(c3ccccc3-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is WADGPQFKCRLECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N2S/c1-2-17-47(18-3-1)53-23-14-24-57(46-53)70(66-33-16-30-63-62-28-10-13-34-67(62)71-68(63)66)65-32-12-9-27-61(65)60-26-8-11-31-64(60)69(55-41-37-49(38-42-55)54-36-35-48-19-4-5-21-52(48)45-54)56-43-39-51(40-44-56)59-29-15-22-50-20-6-7-25-58(50)59/h1-46H.
What are the key properties of N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine?
N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 923.20 g/mol, XLogP of 19.97, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 167086408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).