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

C52H39NOS — CID 170300855

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2cccc3oc4ccccc4c23)c(-c2cccc3cccc(C4CCCCC4)c23)c1
InChIInChI=1S/C52H39NOS/c1-2-14-34(15-3-1)38-21-10-16-36-17-11-23-41(50(36)38)40-18-4-7-24-44(40)53(45-25-13-27-47-52(45)42-19-5-8-26-46(42)54-47)37-32-30-35(31-33-37)39-22-12-29-49-51(39)43-20-6-9-28-48(43)55-49/h4-13,16-34H,1-3,14-15H2
InChIKeyMDGVUBWACIAZCU-UHFFFAOYSA-N
MW725.96 g/mol
LogP15.96
Rot. Bonds6

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine (PubChem CID 170300855) has the molecular formula C52H39NOS and a molecular weight of 725.96 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
PubChem CID170300855
Molecular FormulaC52H39NOS
Molecular Weight725.96 g/mol
Exact Mass725.28
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2cccc3oc4ccccc4c23)c(-c2cccc3cccc(C4CCCCC4)c23)c1
InChIInChI=1S/C52H39NOS/c1-2-14-34(15-3-1)38-21-10-16-36-17-11-23-41(50(36)38)40-18-4-7-24-44(40)53(45-25-13-27-47-52(45)42-19-5-8-26-46(42)54-47)37-32-30-35(31-33-37)39-22-12-29-49-51(39)43-20-6-9-28-48(43)55-49/h4-13,16-34H,1-3,14-15H2
InChIKeyMDGVUBWACIAZCU-UHFFFAOYSA-N
XLogP15.96
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.96
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170300686
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-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline
CID 170300578
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170300542
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 170300824
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-(3-dibenzothiophen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170296068
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-(4-dibenzothiophen-4-ylphenyl)-2-phenylaniline
CID 170296118
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
CID 170300901
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-4-dibenzothiophen-1-yl-2-methyl-N-(4-phenanthren-1-ylphenyl)aniline
CID 170301018
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-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine (CID 170300855) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine is c1ccc(N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2cccc3oc4ccccc4c23)c(-c2cccc3cccc(C4CCCCC4)c23)c1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine?
The InChIKey is MDGVUBWACIAZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NOS/c1-2-14-34(15-3-1)38-21-10-16-36-17-11-23-41(50(36)38)40-18-4-7-24-44(40)53(45-25-13-27-47-52(45)42-19-5-8-26-46(42)54-47)37-32-30-35(31-33-37)39-22-12-29-49-51(39)43-20-6-9-28-48(43)55-49/h4-13,16-34H,1-3,14-15H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine has a molecular weight of 725.96 g/mol, XLogP of 15.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 170300855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).