N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine

C52H41NS — CID 170296073

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H41NS/c1-3-16-36(17-4-1)37-32-34-39(35-33-37)41-22-7-10-27-46(41)53(48-29-15-31-50-52(48)45-24-9-12-30-49(45)54-50)47-28-11-8-23-43(47)44-26-14-21-40-20-13-25-42(51(40)44)38-18-5-2-6-19-38/h1,3-4,7-17,20-35,38H,2,5-6,18-19H2
InChIKeyYQHBSBQDESYJGR-UHFFFAOYSA-N
MW711.97 g/mol
LogP15.73
Rot. Bonds7

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 170296073) has the molecular formula C52H41NS and a molecular weight of 711.97 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
PubChem CID170296073
Molecular FormulaC52H41NS
Molecular Weight711.97 g/mol
Exact Mass711.30
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H41NS/c1-3-16-36(17-4-1)37-32-34-39(35-33-37)41-22-7-10-27-46(41)53(48-29-15-31-50-52(48)45-24-9-12-30-49(45)54-50)47-28-11-8-23-43(47)44-26-14-21-40-20-13-25-42(51(40)44)38-18-5-2-6-19-38/h1,3-4,7-17,20-35,38H,2,5-6,18-19H2
InChIKeyYQHBSBQDESYJGR-UHFFFAOYSA-N
XLogP15.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.97
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
CID 170300901
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170296068
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 170300855
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-phenylaniline
CID 170296118
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline
CID 170300578
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine
CID 170302761
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine
CID 170300950
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170300650
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170300686
N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170295795
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-4-dibenzothiophen-1-yl-2-methyl-N-(4-phenanthren-1-ylphenyl)aniline
CID 170301018
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170300542

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine (CID 170296073) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is YQHBSBQDESYJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41NS/c1-3-16-36(17-4-1)37-32-34-39(35-33-37)41-22-7-10-27-46(41)53(48-29-15-31-50-52(48)45-24-9-12-30-49(45)54-50)47-28-11-8-23-43(47)44-26-14-21-40-20-13-25-42(51(40)44)38-18-5-2-6-19-38/h1,3-4,7-17,20-35,38H,2,5-6,18-19H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine has a molecular weight of 711.97 g/mol, XLogP of 15.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 170296073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).