N-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine

C60H39NS — CID 166589713

IUPACN-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c4ccc(-c5ccc6ccccc6c5)c5ccccc45)cccc23)cc1
InChIInChI=1S/C60H39NS/c1-3-16-41(17-4-1)49-25-11-21-44-22-12-26-50(58(44)49)43-33-35-47(36-34-43)61(57-30-14-29-55-54-28-13-27-51(59(54)62-60(55)57)42-18-5-2-6-19-42)56-38-37-48(52-23-9-10-24-53(52)56)46-32-31-40-15-7-8-20-45(40)39-46/h1-39H
InChIKeyGMLSACQMGWBGOF-UHFFFAOYSA-N
MW806.05 g/mol
LogP17.65
Rot. Bonds7

About N-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine

N-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 166589713) has the molecular formula C60H39NS and a molecular weight of 806.05 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
PubChem CID166589713
Molecular FormulaC60H39NS
Molecular Weight806.05 g/mol
Exact Mass805.28
IUPAC NameN-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c4ccc(-c5ccc6ccccc6c5)c5ccccc45)cccc23)cc1
InChIInChI=1S/C60H39NS/c1-3-16-41(17-4-1)49-25-11-21-44-22-12-26-50(58(44)49)43-33-35-47(36-34-43)61(57-30-14-29-55-54-28-13-27-51(59(54)62-60(55)57)42-18-5-2-6-19-42)56-38-37-48(52-23-9-10-24-53(52)56)46-32-31-40-15-7-8-20-45(40)39-46/h1-39H
InChIKeyGMLSACQMGWBGOF-UHFFFAOYSA-N
XLogP17.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.05
LogP ≤ 517.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine
CID 168772062
N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 177080732
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-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167397345
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-4-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589706
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yl-6-phenyldibenzothiophen-4-amine
CID 168809687
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434428
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 172544603
N-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 168772166
N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 121296524
N-(4-phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine
CID 167396822
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167396343

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine (CID 166589713) is N-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c4ccc(-c5ccc6ccccc6c5)c5ccccc45)cccc23)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is GMLSACQMGWBGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NS/c1-3-16-41(17-4-1)49-25-11-21-44-22-12-26-50(58(44)49)43-33-35-47(36-34-43)61(57-30-14-29-55-54-28-13-27-51(59(54)62-60(55)57)42-18-5-2-6-19-42)56-38-37-48(52-23-9-10-24-53(52)56)46-32-31-40-15-7-8-20-45(40)39-46/h1-39H.
What are the key properties of N-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
N-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 806.05 g/mol, XLogP of 17.65, 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-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 166589713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).