N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine

C52H39NOS — CID 170300824

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
SMILESc1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c1
InChIInChI=1S/C52H39NOS/c1-2-14-34(15-3-1)39-23-11-16-35-17-12-25-44(51(35)39)41-20-4-7-26-46(41)53(38-30-31-43-42-21-5-8-27-47(42)54-48(43)33-38)37-19-10-18-36(32-37)40-24-13-29-50-52(40)45-22-6-9-28-49(45)55-50/h4-13,16-34H,1-3,14-15H2
InChIKeyVGOIHMRQVQEPKV-UHFFFAOYSA-N
MW725.96 g/mol
LogP15.96
Rot. Bonds6

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine (PubChem CID 170300824) 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-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
PubChem CID170300824
Molecular FormulaC52H39NOS
Molecular Weight725.96 g/mol
Exact Mass725.28
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
SMILESc1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c1
InChIInChI=1S/C52H39NOS/c1-2-14-34(15-3-1)39-23-11-16-35-17-12-25-44(51(35)39)41-20-4-7-26-46(41)53(38-30-31-43-42-21-5-8-27-47(42)54-48(43)33-38)37-19-10-18-36(32-37)40-24-13-29-50-52(40)45-22-6-9-28-49(45)55-50/h4-13,16-34H,1-3,14-15H2
InChIKeyVGOIHMRQVQEPKV-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

2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170300542
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-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline
CID 170300578
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-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 170304662
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 170300855
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-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine
CID 170300822
N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168766712
N-(2-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167325748
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170300908

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine (CID 170300824) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine is c1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine?
The InChIKey is VGOIHMRQVQEPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NOS/c1-2-14-34(15-3-1)39-23-11-16-35-17-12-25-44(51(35)39)41-20-4-7-26-46(41)53(38-30-31-43-42-21-5-8-27-47(42)54-48(43)33-38)37-19-10-18-36(32-37)40-24-13-29-50-52(40)45-22-6-9-28-49(45)55-50/h4-13,16-34H,1-3,14-15H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-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-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 170300824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).