4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline

C50H41N — CID 170288386

IUPAC4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c(-c2ccccc2)c1
InChIInChI=1S/C50H41N/c1-50(2,3)41-31-34-48(46(35-41)39-21-11-6-12-22-39)51(42-32-29-37(30-33-42)36-17-7-4-8-18-36)47-28-14-13-25-44(47)45-27-16-24-40-23-15-26-43(49(40)45)38-19-9-5-10-20-38/h4-35H,1-3H3
InChIKeyWUUHTLJSRYIVPC-UHFFFAOYSA-N
MW655.89 g/mol
LogP14.28
Rot. Bonds7

About 4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline

4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 170288386) has the molecular formula C50H41N and a molecular weight of 655.89 g/mol. Its IUPAC name is 4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID170288386
Molecular FormulaC50H41N
Molecular Weight655.89 g/mol
Exact Mass655.32
IUPAC Name4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c(-c2ccccc2)c1
InChIInChI=1S/C50H41N/c1-50(2,3)41-31-34-48(46(35-41)39-21-11-6-12-22-39)51(42-32-29-37(30-33-42)36-17-7-4-8-18-36)47-28-14-13-25-44(47)45-27-16-24-40-23-15-26-43(49(40)45)38-19-9-5-10-20-38/h4-35H,1-3H3
InChIKeyWUUHTLJSRYIVPC-UHFFFAOYSA-N
XLogP14.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.89
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
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
5-tert-butyl-N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170290116
4-tert-butyl-2-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170297188
4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170289851
3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170289908
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304738
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170304803
3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170288575

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 170288386) is 4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline is CC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c(-c2ccccc2)c1.
What is the InChIKey of 4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is WUUHTLJSRYIVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41N/c1-50(2,3)41-31-34-48(46(35-41)39-21-11-6-12-22-39)51(42-32-29-37(30-33-42)36-17-7-4-8-18-36)47-28-14-13-25-44(47)45-27-16-24-40-23-15-26-43(49(40)45)38-19-9-5-10-20-38/h4-35H,1-3H3.
What are the key properties of 4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 655.89 g/mol, XLogP of 14.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170288386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).