4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline

C56H49NO — CID 170295425

IUPAC4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
SMILESCC(C)(C)c1ccc(N(c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2ccccc2)c1
InChIInChI=1S/C56H49NO/c1-56(2,3)43-32-34-52(50(37-43)39-19-8-5-9-20-39)57(44-24-14-23-41(35-44)42-31-33-48-47-26-11-13-30-53(47)58-54(48)36-42)51-29-12-10-25-46(51)49-28-16-22-40-21-15-27-45(55(40)49)38-17-6-4-7-18-38/h5,8-16,19-38H,4,6-7,17-18H2,1-3H3
InChIKeyLUISLBWCVRUDBU-UHFFFAOYSA-N
MW752.01 g/mol
LogP16.56
Rot. Bonds7

About 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline

4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline (PubChem CID 170295425) has the molecular formula C56H49NO and a molecular weight of 752.01 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
PubChem CID170295425
Molecular FormulaC56H49NO
Molecular Weight752.01 g/mol
Exact Mass751.38
IUPAC Name4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
SMILESCC(C)(C)c1ccc(N(c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2ccccc2)c1
InChIInChI=1S/C56H49NO/c1-56(2,3)43-32-34-52(50(37-43)39-19-8-5-9-20-39)57(44-24-14-23-41(35-44)42-31-33-48-47-26-11-13-30-53(47)58-54(48)36-42)51-29-12-10-25-46(51)49-28-16-22-40-21-15-27-45(55(40)49)38-17-6-4-7-18-38/h5,8-16,19-38H,4,6-7,17-18H2,1-3H3
InChIKeyLUISLBWCVRUDBU-UHFFFAOYSA-N
XLogP16.56
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.01
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2-cyclohexa-1,5-dien-1-yl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline
CID 170295873
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]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 170304662
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline
CID 170296019
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297637
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170297632
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline
CID 170295954
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline
CID 170295801
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170300542
2-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 170290633
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(3-phenanthren-1-ylphenyl)aniline
CID 170300878
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 170296362

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline?
The IUPAC name of 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline (CID 170295425) is 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline.
What is the SMILES notation for 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline?
The canonical SMILES for 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline is CC(C)(C)c1ccc(N(c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2ccccc2)c1.
What is the InChIKey of 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline?
The InChIKey is LUISLBWCVRUDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H49NO/c1-56(2,3)43-32-34-52(50(37-43)39-19-8-5-9-20-39)57(44-24-14-23-41(35-44)42-31-33-48-47-26-11-13-30-53(47)58-54(48)36-42)51-29-12-10-25-46(51)49-28-16-22-40-21-15-27-45(55(40)49)38-17-6-4-7-18-38/h5,8-16,19-38H,4,6-7,17-18H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline?
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline has a molecular weight of 752.01 g/mol, XLogP of 16.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 170295425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).