N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine

C44H35NS — CID 170300950

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2cccc3c2sc2ccccc23)c(-c2cccc3cccc(C4CCCCC4)c23)c1
InChIInChI=1S/C44H35NS/c1-2-14-31(15-3-1)34-23-10-18-32-19-11-24-37(43(32)34)35-21-6-8-26-40(35)45(39-27-12-17-30-16-4-5-20-33(30)39)41-28-13-25-38-36-22-7-9-29-42(36)46-44(38)41/h4-13,16-29,31H,1-3,14-15H2
InChIKeyYJVFPLWFSPRXBE-UHFFFAOYSA-N
MW609.84 g/mol
LogP13.55
Rot. Bonds5

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine (PubChem CID 170300950) 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-4-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine
PubChem CID170300950
Molecular FormulaC44H35NS
Molecular Weight609.84 g/mol
Exact Mass609.25
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2cccc3c2sc2ccccc23)c(-c2cccc3cccc(C4CCCCC4)c23)c1
InChIInChI=1S/C44H35NS/c1-2-14-31(15-3-1)34-23-10-18-32-19-11-24-37(43(32)34)35-21-6-8-26-40(35)45(39-27-12-17-30-16-4-5-20-33(30)39)41-28-13-25-38-36-22-7-9-29-42(36)46-44(38)41/h4-13,16-29,31H,1-3,14-15H2
InChIKeyYJVFPLWFSPRXBE-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-naphthalen-1-yldibenzothiophen-1-amine
CID 170300901
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170295830
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-(4-dibenzothiophen-4-ylphenyl)-2-phenylaniline
CID 170296118
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 170304636
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine
CID 170300953
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline
CID 170299224
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine
CID 170300822
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-4-amine
CID 170300693
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 170296073
N-[1-(8-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-amine
CID 164774602
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 170302928

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine (CID 170300950) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine is c1ccc(N(c2cccc3ccccc23)c2cccc3c2sc2ccccc23)c(-c2cccc3cccc(C4CCCCC4)c23)c1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine?
The InChIKey is YJVFPLWFSPRXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35NS/c1-2-14-31(15-3-1)34-23-10-18-32-19-11-24-37(43(32)34)35-21-6-8-26-40(35)45(39-27-12-17-30-16-4-5-20-33(30)39)41-28-13-25-38-36-22-7-9-29-42(36)46-44(38)41/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-4-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-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-4-amine is sourced from PubChem (CID 170300950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).