2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline

C52H43NS — CID 170296120

IUPAC2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline
SMILESC1=c2cccc(C3CCCCC3)c2=C(c2ccccc2N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C52H43NS/c1-3-17-36(18-4-1)41-25-7-10-32-48(41)53(40-24-13-23-39(35-40)43-29-16-31-47-45-27-9-12-34-50(45)54-52(43)47)49-33-11-8-26-44(49)46-30-15-22-38-21-14-28-42(51(38)46)37-19-5-2-6-20-37/h1,3-4,7-14,16-18,21-29,31-35,37H,2,5-6,15,19-20,30H2
InChIKeyUIEXMUCAISWBOL-UHFFFAOYSA-N
MW713.99 g/mol
LogP13.68
Rot. Bonds7

About 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline

2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline (PubChem CID 170296120) has the molecular formula C52H43NS and a molecular weight of 713.99 g/mol. Its IUPAC name is 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline
PubChem CID170296120
Molecular FormulaC52H43NS
Molecular Weight713.99 g/mol
Exact Mass713.31
IUPAC Name2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline
SMILESC1=c2cccc(C3CCCCC3)c2=C(c2ccccc2N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C52H43NS/c1-3-17-36(18-4-1)41-25-7-10-32-48(41)53(40-24-13-23-39(35-40)43-29-16-31-47-45-27-9-12-34-50(45)54-52(43)47)49-33-11-8-26-44(49)46-30-15-22-38-21-14-28-42(51(38)46)37-19-5-2-6-20-37/h1,3-4,7-14,16-18,21-29,31-35,37H,2,5-6,15,19-20,30H2
InChIKeyUIEXMUCAISWBOL-UHFFFAOYSA-N
XLogP13.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.99
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N,N-bis(2-dibenzothiophen-1-ylphenyl)aniline
CID 170300776
2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297887
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-phenylaniline
CID 170296118
N-[2-(4-tert-butylphenyl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline
CID 170294549
2-[3-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167086686
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethylfluoren-4-amine
CID 170302861
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170296068
N-[2-(2-phenylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164744415
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-2-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)aniline
CID 170300719
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170299237
2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170302927
2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170299234

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline?
The IUPAC name of 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline (CID 170296120) is 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline.
What is the SMILES notation for 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline?
The canonical SMILES for 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline is C1=c2cccc(C3CCCCC3)c2=C(c2ccccc2N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline?
The InChIKey is UIEXMUCAISWBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43NS/c1-3-17-36(18-4-1)41-25-7-10-32-48(41)53(40-24-13-23-39(35-40)43-29-16-31-47-45-27-9-12-34-50(45)54-52(43)47)49-33-11-8-26-44(49)46-30-15-22-38-21-14-28-42(51(38)46)37-19-5-2-6-20-37/h1,3-4,7-14,16-18,21-29,31-35,37H,2,5-6,15,19-20,30H2.
What are the key properties of 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline?
2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline has a molecular weight of 713.99 g/mol, XLogP of 13.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 170296120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).