4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline

C52H53N — CID 170288774

IUPAC4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4)c4ccc(C(C)(C)C)cc4-c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C52H53N/c1-50(2,3)39-30-31-48(46(35-39)36-20-12-10-13-21-36)53(42-24-14-11-15-25-42)47-29-17-16-26-44(47)45-28-19-23-37-22-18-27-43(49(37)45)38-32-40(51(4,5)6)34-41(33-38)52(7,8)9/h10-35H,1-9H3
InChIKeyLFKPSGXUJIFFMA-UHFFFAOYSA-N
MW692.00 g/mol
LogP15.20
Rot. Bonds6

About 4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline

4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline (PubChem CID 170288774) has the molecular formula C52H53N and a molecular weight of 692.00 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline
PubChem CID170288774
Molecular FormulaC52H53N
Molecular Weight692.00 g/mol
Exact Mass691.42
IUPAC Name4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4)c4ccc(C(C)(C)C)cc4-c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C52H53N/c1-50(2,3)39-30-31-48(46(35-39)36-20-12-10-13-21-36)53(42-24-14-11-15-25-42)47-29-17-16-26-44(47)45-28-19-23-37-22-18-27-43(49(37)45)38-32-40(51(4,5)6)34-41(33-38)52(7,8)9/h10-35H,1-9H3
InChIKeyLFKPSGXUJIFFMA-UHFFFAOYSA-N
XLogP15.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.00
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288386
2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 170288786
N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline
CID 170288404
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304806
3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170289908
N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170288466
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
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288884
N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301769
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-(3-phenanthren-1-ylphenyl)-N-phenylaniline
CID 170290977
4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170289851

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline?
The IUPAC name of 4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline (CID 170288774) is 4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline.
What is the SMILES notation for 4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline?
The canonical SMILES for 4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4)c4ccc(C(C)(C)C)cc4-c4ccccc4)c23)cc(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline?
The InChIKey is LFKPSGXUJIFFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H53N/c1-50(2,3)39-30-31-48(46(35-39)36-20-12-10-13-21-36)53(42-24-14-11-15-25-42)47-29-17-16-26-44(47)45-28-19-23-37-22-18-27-43(49(37)45)38-32-40(51(4,5)6)34-41(33-38)52(7,8)9/h10-35H,1-9H3.
What are the key properties of 4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline?
4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline has a molecular weight of 692.00 g/mol, XLogP of 15.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline is sourced from PubChem (CID 170288774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).