N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline

C54H49N — CID 170288404

IUPACN-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1cc(-c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C54H49N/c1-53(2,3)43-35-42(36-44(37-43)54(4,5)6)46-25-13-15-29-50(46)55(45-33-31-39(32-34-45)38-19-9-7-10-20-38)51-30-16-14-26-48(51)49-28-18-24-41-23-17-27-47(52(41)49)40-21-11-8-12-22-40/h7-37H,1-6H3
InChIKeyJSDLMNNYEJONFK-UHFFFAOYSA-N
MW711.99 g/mol
LogP15.57
Rot. Bonds7

About N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline

N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline (PubChem CID 170288404) has the molecular formula C54H49N and a molecular weight of 711.99 g/mol. Its IUPAC name is N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline
PubChem CID170288404
Molecular FormulaC54H49N
Molecular Weight711.99 g/mol
Exact Mass711.39
IUPAC NameN-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1cc(-c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C54H49N/c1-53(2,3)43-35-42(36-44(37-43)54(4,5)6)46-25-13-15-29-50(46)55(45-33-31-39(32-34-45)38-19-9-7-10-20-38)51-30-16-14-26-48(51)49-28-18-24-41-23-17-27-47(52(41)49)40-21-11-8-12-22-40/h7-37H,1-6H3
InChIKeyJSDLMNNYEJONFK-UHFFFAOYSA-N
XLogP15.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.99
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 170288786
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304806
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288884
3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170289908
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170291271
4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline
CID 170288774
N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170288466
N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301769
4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288386
3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170288575
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170304803
N-(3-dibenzothiophen-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(4-phenylphenyl)aniline
CID 170296596

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline (CID 170288404) is N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline is CC(C)(C)c1cc(-c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc(C(C)(C)C)c1.
What is the InChIKey of N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is JSDLMNNYEJONFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H49N/c1-53(2,3)43-35-42(36-44(37-43)54(4,5)6)46-25-13-15-29-50(46)55(45-33-31-39(32-34-45)38-19-9-7-10-20-38)51-30-16-14-26-48(51)49-28-18-24-41-23-17-27-47(52(41)49)40-21-11-8-12-22-40/h7-37H,1-6H3.
What are the key properties of N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline?
N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 711.99 g/mol, XLogP of 15.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170288404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).