N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine

C56H43NS — CID 168771655

IUPACN-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1cc(-c2cccc3ccccc23)c(-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)sc3ccccc34)cc2)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C56H43NS/c1-2-13-38(14-3-1)39-27-31-43(32-28-39)57(45-35-36-51-50-21-8-9-26-54(50)58-55(51)37-45)44-33-29-42(30-34-44)56-52(48-22-10-17-40-15-4-6-19-46(40)48)24-12-25-53(56)49-23-11-18-41-16-5-7-20-47(41)49/h4-12,15-38H,1-3,13-14H2
InChIKeyXHOMOCLLEXQESM-UHFFFAOYSA-N
MW762.03 g/mol
LogP16.88
Rot. Bonds7

About N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine

N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 168771655) has the molecular formula C56H43NS and a molecular weight of 762.03 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine
PubChem CID168771655
Molecular FormulaC56H43NS
Molecular Weight762.03 g/mol
Exact Mass761.31
IUPAC NameN-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1cc(-c2cccc3ccccc23)c(-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)sc3ccccc34)cc2)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C56H43NS/c1-2-13-38(14-3-1)39-27-31-43(32-28-39)57(45-35-36-51-50-21-8-9-26-54(50)58-55(51)37-45)44-33-29-42(30-34-44)56-52(48-22-10-17-40-15-4-6-19-46(40)48)24-12-25-53(56)49-23-11-18-41-16-5-7-20-47(41)49/h4-12,15-38H,1-3,13-14H2
InChIKeyXHOMOCLLEXQESM-UHFFFAOYSA-N
XLogP16.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.03
LogP ≤ 516.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771794
N-(4-cyclohexylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771801
N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774786
N-(4-cyclohexylphenyl)-N-[4-[2,4,6-tri(propan-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 168771724
N-(4-cyclopentylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774673
N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771671
2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine
CID 143986213
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 168810346
N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine
CID 168810336
N-chrysen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 170130743
N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 164774948
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine (CID 168771655) is N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine is c1cc(-c2cccc3ccccc23)c(-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)sc3ccccc34)cc2)c(-c2cccc3ccccc23)c1.
What is the InChIKey of N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine?
The InChIKey is XHOMOCLLEXQESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43NS/c1-2-13-38(14-3-1)39-27-31-43(32-28-39)57(45-35-36-51-50-21-8-9-26-54(50)58-55(51)37-45)44-33-29-42(30-34-44)56-52(48-22-10-17-40-15-4-6-19-46(40)48)24-12-25-53(56)49-23-11-18-41-16-5-7-20-47(41)49/h4-12,15-38H,1-3,13-14H2.
What are the key properties of N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine?
N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine has a molecular weight of 762.03 g/mol, XLogP of 16.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 168771655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).