N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine

C52H35NS — CID 154605549

IUPACN-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc5c(-c6ccccc6)cccc5c4)cc3)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H35NS/c1-3-13-36(14-4-1)37-25-27-40(28-26-37)46-18-7-9-21-48(46)53(49-22-12-24-51-52(49)47-19-8-10-23-50(47)54-51)43-32-29-38(30-33-43)41-31-34-45-42(35-41)17-11-20-44(45)39-15-5-2-6-16-39/h1-35H
InChIKeyWQWATVZDWQUGNJ-UHFFFAOYSA-N
MW705.93 g/mol
LogP15.35
Rot. Bonds7

About N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine

N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 154605549) has the molecular formula C52H35NS and a molecular weight of 705.93 g/mol. Its IUPAC name is N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
PubChem CID154605549
Molecular FormulaC52H35NS
Molecular Weight705.93 g/mol
Exact Mass705.25
IUPAC NameN-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc5c(-c6ccccc6)cccc5c4)cc3)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H35NS/c1-3-13-36(14-4-1)37-25-27-40(28-26-37)46-18-7-9-21-48(46)53(49-22-12-24-51-52(49)47-19-8-10-23-50(47)54-51)43-32-29-38(30-33-43)41-31-34-45-42(35-41)17-11-20-44(45)39-15-5-2-6-16-39/h1-35H
InChIKeyWQWATVZDWQUGNJ-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-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-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-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167235577
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 169061858
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 170037663
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 169063529
N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167324520
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 167324838
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167326162
2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167325878
N-(4-naphtho[2,1-b][1]benzothiol-4-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 170038276

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine (CID 154605549) is N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc5c(-c6ccccc6)cccc5c4)cc3)c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is WQWATVZDWQUGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NS/c1-3-13-36(14-4-1)37-25-27-40(28-26-37)46-18-7-9-21-48(46)53(49-22-12-24-51-52(49)47-19-8-10-23-50(47)54-51)43-32-29-38(30-33-43)41-31-34-45-42(35-41)17-11-20-44(45)39-15-5-2-6-16-39/h1-35H.
What are the key properties of N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine?
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine 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-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 154605549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).