N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine

C52H45NS — CID 170301867

IUPACN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc5ccccc45)c4cccc5sc6ccccc6c45)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C52H45NS/c1-51(2,3)37-31-36(32-38(33-37)52(4,5)6)40-24-13-19-35-20-14-25-42(49(35)40)41-22-9-11-26-45(41)53(44-27-15-18-34-17-7-8-21-39(34)44)46-28-16-30-48-50(46)43-23-10-12-29-47(43)54-48/h7-33H,1-6H3
InChIKeyXGOPFJAWPDEABR-UHFFFAOYSA-N
MW716.01 g/mol
LogP15.76
Rot. Bonds5

About N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine (PubChem CID 170301867) has the molecular formula C52H45NS and a molecular weight of 716.01 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
PubChem CID170301867
Molecular FormulaC52H45NS
Molecular Weight716.01 g/mol
Exact Mass715.33
IUPAC NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc5ccccc45)c4cccc5sc6ccccc6c45)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C52H45NS/c1-51(2,3)37-31-36(32-38(33-37)52(4,5)6)40-24-13-19-35-20-14-25-42(49(35)40)41-22-9-11-26-45(41)53(44-27-15-18-34-17-7-8-21-39(34)44)46-28-16-30-48-50(46)43-23-10-12-29-47(43)54-48/h7-33H,1-6H3
InChIKeyXGOPFJAWPDEABR-UHFFFAOYSA-N
XLogP15.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.01
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-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-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 170296566
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 170302037
N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 170301225
N-(4-dibenzothiophen-1-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170301774
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170301701
N-(3-dibenzothiophen-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(4-phenylphenyl)aniline
CID 170296596
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170294383
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine
CID 170302131
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170291271
N-(2-dibenzothiophen-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 170302040
2-dibenzothiophen-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302138
N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 170301767

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine?
The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine (CID 170301867) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine.
What is the SMILES notation for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine?
The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc5ccccc45)c4cccc5sc6ccccc6c45)c23)cc(C(C)(C)C)c1.
What is the InChIKey of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine?
The InChIKey is XGOPFJAWPDEABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H45NS/c1-51(2,3)37-31-36(32-38(33-37)52(4,5)6)40-24-13-19-35-20-14-25-42(49(35)40)41-22-9-11-26-45(41)53(44-27-15-18-34-17-7-8-21-39(34)44)46-28-16-30-48-50(46)43-23-10-12-29-47(43)54-48/h7-33H,1-6H3.
What are the key properties of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine?
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine has a molecular weight of 716.01 g/mol, XLogP of 15.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine is sourced from PubChem (CID 170301867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).