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

C54H55N — CID 170289729

IUPAC2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(-c2ccccc2N(c2ccccc2-c2ccc(C(C)(C)C)cc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1
InChIInChI=1S/C54H55N/c1-53(2,3)42-34-30-39(31-35-42)44-22-10-13-27-49(44)55(50-28-14-11-23-45(50)40-32-36-43(37-33-40)54(4,5)6)51-29-15-12-24-47(51)48-26-17-21-41-20-16-25-46(52(41)48)38-18-8-7-9-19-38/h10-17,20-38H,7-9,18-19H2,1-6H3
InChIKeyDBGPGDMLHZERLG-UHFFFAOYSA-N
MW718.04 g/mol
LogP15.95
Rot. Bonds7

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

2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170289729) has the molecular formula C54H55N and a molecular weight of 718.04 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline
PubChem CID170289729
Molecular FormulaC54H55N
Molecular Weight718.04 g/mol
Exact Mass717.43
IUPAC Name2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(-c2ccccc2N(c2ccccc2-c2ccc(C(C)(C)C)cc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1
InChIInChI=1S/C54H55N/c1-53(2,3)42-34-30-39(31-35-42)44-22-10-13-27-49(44)55(50-28-14-11-23-45(50)40-32-36-43(37-33-40)54(4,5)6)51-29-15-12-24-47(51)48-26-17-21-41-20-16-25-46(52(41)48)38-18-8-7-9-19-38/h10-17,20-38H,7-9,18-19H2,1-6H3
InChIKeyDBGPGDMLHZERLG-UHFFFAOYSA-N
XLogP15.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.04
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 170290633
5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline
CID 170289420
2-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 170295842
N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170295839
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline
CID 170295801
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304646
5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297549
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170295830
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 170303000
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170292723
2-(8-cyclohexylnaphthalen-1-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline
CID 170293343
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 170296073

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline (CID 170289729) is 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline is CC(C)(C)c1ccc(-c2ccccc2N(c2ccccc2-c2ccc(C(C)(C)C)cc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is DBGPGDMLHZERLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H55N/c1-53(2,3)42-34-30-39(31-35-42)44-22-10-13-27-49(44)55(50-28-14-11-23-45(50)40-32-36-43(37-33-40)54(4,5)6)51-29-15-12-24-47(51)48-26-17-21-41-20-16-25-46(52(41)48)38-18-8-7-9-19-38/h10-17,20-38H,7-9,18-19H2,1-6H3.
What are the key properties of 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline?
2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 718.04 g/mol, XLogP of 15.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170289729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).