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

C58H43NOS — CID 170300578

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline
SMILESc1ccc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2ccccc2-c2cccc3sc4ccccc4c23)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C58H43NOS/c1-2-17-38(18-3-1)42-26-14-19-39-20-15-27-46(57(39)42)43-22-5-10-30-51(43)59(50-29-9-4-21-41(50)40-35-36-54-49(37-40)45-24-7-12-32-53(45)60-54)52-31-11-6-23-44(52)47-28-16-34-56-58(47)48-25-8-13-33-55(48)61-56/h4-16,19-38H,1-3,17-18H2
InChIKeyZOGKIDMGFGFUSY-UHFFFAOYSA-N
MW802.06 g/mol
LogP17.63
Rot. Bonds7

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline (PubChem CID 170300578) has the molecular formula C58H43NOS and a molecular weight of 802.06 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline
PubChem CID170300578
Molecular FormulaC58H43NOS
Molecular Weight802.06 g/mol
Exact Mass801.31
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline
SMILESc1ccc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2ccccc2-c2cccc3sc4ccccc4c23)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C58H43NOS/c1-2-17-38(18-3-1)42-26-14-19-39-20-15-27-46(57(39)42)43-22-5-10-30-51(43)59(50-29-9-4-21-41(50)40-35-36-54-49(37-40)45-24-7-12-32-53(45)60-54)52-31-11-6-23-44(52)47-28-16-34-56-58(47)48-25-8-13-33-55(48)61-56/h4-16,19-38H,1-3,17-18H2
InChIKeyZOGKIDMGFGFUSY-UHFFFAOYSA-N
XLogP17.63
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.06
LogP ≤ 517.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 170300855
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-dibenzofuran-2-ylphenyl)naphthalen-2-amine
CID 170300874
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 170296073
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-2-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)aniline
CID 170300719
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 170300560
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline
CID 170295801
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(4-phenanthren-1-ylphenyl)aniline
CID 170300881
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170296068

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline (CID 170300578) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline is c1ccc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2ccccc2-c2cccc3sc4ccccc4c23)c(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline?
The InChIKey is ZOGKIDMGFGFUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43NOS/c1-2-17-38(18-3-1)42-26-14-19-39-20-15-27-46(57(39)42)43-22-5-10-30-51(43)59(50-29-9-4-21-41(50)40-35-36-54-49(37-40)45-24-7-12-32-53(45)60-54)52-31-11-6-23-44(52)47-28-16-34-56-58(47)48-25-8-13-33-55(48)61-56/h4-16,19-38H,1-3,17-18H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline has a molecular weight of 802.06 g/mol, XLogP of 17.63, 7 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]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline is sourced from PubChem (CID 170300578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).