N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline

C50H45NO — CID 170295801

IUPACN-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2-c2ccc3oc4ccccc4c3c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1
InChIInChI=1S/C50H45NO/c1-50(2,3)37-28-30-38(31-29-37)51(45-24-10-7-19-39(45)36-27-32-48-44(33-36)42-21-9-12-26-47(42)52-48)46-25-11-8-20-41(46)43-23-14-18-35-17-13-22-40(49(35)43)34-15-5-4-6-16-34/h7-14,17-34H,4-6,15-16H2,1-3H3
InChIKeyDFPGEIPOSBILBE-UHFFFAOYSA-N
MW675.92 g/mol
LogP14.89
Rot. Bonds6

About N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline

N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline (PubChem CID 170295801) has the molecular formula C50H45NO and a molecular weight of 675.92 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline
PubChem CID170295801
Molecular FormulaC50H45NO
Molecular Weight675.92 g/mol
Exact Mass675.35
IUPAC NameN-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2-c2ccc3oc4ccccc4c3c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1
InChIInChI=1S/C50H45NO/c1-50(2,3)37-28-30-38(31-29-37)51(45-24-10-7-19-39(45)36-27-32-48-44(33-36)42-21-9-12-26-47(42)52-48)46-25-11-8-20-41(46)43-23-14-18-35-17-13-22-40(49(35)43)34-15-5-4-6-16-34/h7-14,17-34H,4-6,15-16H2,1-3H3
InChIKeyDFPGEIPOSBILBE-UHFFFAOYSA-N
XLogP14.89
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.92
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline 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

N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170295839
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]-2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 170300560
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine
CID 170300874
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(3-phenanthren-1-ylphenyl)aniline
CID 170300878
2-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 170290633
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 170295425
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 170299037
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-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 170296362
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline
CID 170300987
2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline
CID 170289729

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline (CID 170295801) is N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline is CC(C)(C)c1ccc(N(c2ccccc2-c2ccc3oc4ccccc4c3c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline?
The InChIKey is DFPGEIPOSBILBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H45NO/c1-50(2,3)37-28-30-38(31-29-37)51(45-24-10-7-19-39(45)36-27-32-48-44(33-36)42-21-9-12-26-47(42)52-48)46-25-11-8-20-41(46)43-23-14-18-35-17-13-22-40(49(35)43)34-15-5-4-6-16-34/h7-14,17-34H,4-6,15-16H2,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline?
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline has a molecular weight of 675.92 g/mol, XLogP of 14.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline is sourced from PubChem (CID 170295801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).