N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine

C44H35NS — CID 170300901

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2cccc3sc4ccccc4c23)c(-c2cccc3cccc(C4CCCCC4)c23)c1
InChIInChI=1S/C44H35NS/c1-2-14-31(15-3-1)34-23-10-18-32-19-11-24-36(43(32)34)35-21-6-8-25-39(35)45(38-26-12-17-30-16-4-5-20-33(30)38)40-27-13-29-42-44(40)37-22-7-9-28-41(37)46-42/h4-13,16-29,31H,1-3,14-15H2
InChIKeySRUIHQVIRCMIOI-UHFFFAOYSA-N
MW609.84 g/mol
LogP13.55
Rot. Bonds5

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine (PubChem CID 170300901) has the molecular formula C44H35NS and a molecular weight of 609.84 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
PubChem CID170300901
Molecular FormulaC44H35NS
Molecular Weight609.84 g/mol
Exact Mass609.25
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2cccc3sc4ccccc4c23)c(-c2cccc3cccc(C4CCCCC4)c23)c1
InChIInChI=1S/C44H35NS/c1-2-14-31(15-3-1)34-23-10-18-32-19-11-24-36(43(32)34)35-21-6-8-25-39(35)45(38-26-12-17-30-16-4-5-20-33(30)38)40-27-13-29-42-44(40)37-22-7-9-28-41(37)46-42/h4-13,16-29,31H,1-3,14-15H2
InChIKeySRUIHQVIRCMIOI-UHFFFAOYSA-N
XLogP13.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.84
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 170296073
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine
CID 170300950
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 170303000
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-(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]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline
CID 170300578
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-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 170301225
N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170295795
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170301128

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine (CID 170300901) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine is c1ccc(N(c2cccc3ccccc23)c2cccc3sc4ccccc4c23)c(-c2cccc3cccc(C4CCCCC4)c23)c1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine?
The InChIKey is SRUIHQVIRCMIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35NS/c1-2-14-31(15-3-1)34-23-10-18-32-19-11-24-36(43(32)34)35-21-6-8-25-39(35)45(38-26-12-17-30-16-4-5-20-33(30)38)40-27-13-29-42-44(40)37-22-7-9-28-41(37)46-42/h4-13,16-29,31H,1-3,14-15H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine has a molecular weight of 609.84 g/mol, XLogP of 13.55, 5 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-naphthalen-1-yldibenzothiophen-1-amine is sourced from PubChem (CID 170300901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).