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

C44H37N — CID 170288466

IUPACN-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2-c2ccccc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C44H37N/c1-44(2,3)35-28-30-36(31-29-35)45(41-26-12-10-22-37(41)32-16-6-4-7-17-32)42-27-13-11-23-39(42)40-25-15-21-34-20-14-24-38(43(34)40)33-18-8-5-9-19-33/h4-31H,1-3H3
InChIKeyXHEAVFHAYCZHEN-UHFFFAOYSA-N
MW579.79 g/mol
LogP12.61
Rot. Bonds6

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

N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170288466) has the molecular formula C44H37N and a molecular weight of 579.79 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170288466
Molecular FormulaC44H37N
Molecular Weight579.79 g/mol
Exact Mass579.29
IUPAC NameN-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2-c2ccccc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C44H37N/c1-44(2,3)35-28-30-36(31-29-35)45(41-26-12-10-22-37(41)32-16-6-4-7-17-32)42-27-13-11-23-39(42)40-25-15-21-34-20-14-24-38(43(34)40)33-18-8-5-9-19-33/h4-31H,1-3H3
InChIKeyXHEAVFHAYCZHEN-UHFFFAOYSA-N
XLogP12.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.79
LogP ≤ 512.61
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-(4-tert-butylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170289912
4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288386
N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline
CID 170288404
3,5-ditert-butyl-N,N-bis[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170289908
2-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170290050
4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline
CID 170288774
5-tert-butyl-N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170290116
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]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304806
N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291967
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304738

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170288466) is N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC(C)(C)c1ccc(N(c2ccccc2-c2ccccc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is XHEAVFHAYCZHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37N/c1-44(2,3)35-28-30-36(31-29-35)45(41-26-12-10-22-37(41)32-16-6-4-7-17-32)42-27-13-11-23-39(42)40-25-15-21-34-20-14-24-38(43(34)40)33-18-8-5-9-19-33/h4-31H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 579.79 g/mol, XLogP of 12.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170288466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).