N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine

C56H37NS — CID 168772062

IUPACN-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine
SMILESc1ccc(-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccccc4)c4ccccc34)c3sc4c(-c5ccccc5)cccc4c3c2)cc1
InChIInChI=1S/C56H37NS/c1-4-15-38(16-5-1)45-36-52-51-26-14-25-48(42-20-8-3-9-21-42)55(51)58-56(52)54(37-45)57(46-31-29-40(30-32-46)44-28-27-39-17-10-11-22-43(39)35-44)53-34-33-47(41-18-6-2-7-19-41)49-23-12-13-24-50(49)53/h1-37H
InChIKeyPJEYRWVURGCODV-UHFFFAOYSA-N
MW755.99 g/mol
LogP16.50
Rot. Bonds7

About N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine

N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine (PubChem CID 168772062) has the molecular formula C56H37NS and a molecular weight of 755.99 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine
PubChem CID168772062
Molecular FormulaC56H37NS
Molecular Weight755.99 g/mol
Exact Mass755.26
IUPAC NameN-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine
SMILESc1ccc(-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccccc4)c4ccccc34)c3sc4c(-c5ccccc5)cccc4c3c2)cc1
InChIInChI=1S/C56H37NS/c1-4-15-38(16-5-1)45-36-52-51-26-14-25-48(42-20-8-3-9-21-42)55(51)58-56(52)54(37-45)57(46-31-29-40(30-32-46)44-28-27-39-17-10-11-22-43(39)35-44)53-34-33-47(41-18-6-2-7-19-41)49-23-12-13-24-50(49)53/h1-37H
InChIKeyPJEYRWVURGCODV-UHFFFAOYSA-N
XLogP16.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.99
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 166589713
N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 177080732
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-1-phenyldibenzothiophen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-8-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-1-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-2-phenyldibenzothiophen-4-amine
CID 163452638
N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605730
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434428
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 168772002
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167396343
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396570
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 153292219
N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 121296524
N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 167087066

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine (CID 168772062) is N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine is c1ccc(-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccccc4)c4ccccc34)c3sc4c(-c5ccccc5)cccc4c3c2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine?
The InChIKey is PJEYRWVURGCODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NS/c1-4-15-38(16-5-1)45-36-52-51-26-14-25-48(42-20-8-3-9-21-42)55(51)58-56(52)54(37-45)57(46-31-29-40(30-32-46)44-28-27-39-17-10-11-22-43(39)35-44)53-34-33-47(41-18-6-2-7-19-41)49-23-12-13-24-50(49)53/h1-37H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine?
N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine has a molecular weight of 755.99 g/mol, XLogP of 16.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine is sourced from PubChem (CID 168772062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).