N-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline

C38H33N — CID 170181041

IUPACN-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1ccc(-c2cccc(Nc3ccccc3-c3ccc(-c4ccccc4)cc3)c2)c2ccccc12
InChIInChI=1S/C38H33N/c1-38(2,3)36-25-24-32(34-17-7-8-18-35(34)36)30-14-11-15-31(26-30)39-37-19-10-9-16-33(37)29-22-20-28(21-23-29)27-12-5-4-6-13-27/h4-26,39H,1-3H3
InChIKeyHRJZHZIWHHVDQM-UHFFFAOYSA-N
MW503.69 g/mol
LogP10.88
Rot. Bonds5

About N-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline

N-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline (PubChem CID 170181041) has the molecular formula C38H33N and a molecular weight of 503.69 g/mol. Its IUPAC name is N-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
PubChem CID170181041
Molecular FormulaC38H33N
Molecular Weight503.69 g/mol
Exact Mass503.26
IUPAC NameN-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1ccc(-c2cccc(Nc3ccccc3-c3ccc(-c4ccccc4)cc3)c2)c2ccccc12
InChIInChI=1S/C38H33N/c1-38(2,3)36-25-24-32(34-17-7-8-18-35(34)36)30-14-11-15-31(26-30)39-37-19-10-9-16-33(37)29-22-20-28(21-23-29)27-12-5-4-6-13-27/h4-26,39H,1-3H3
InChIKeyHRJZHZIWHHVDQM-UHFFFAOYSA-N
XLogP10.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 510.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline?
The IUPAC name of N-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline (CID 170181041) is N-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline?
The canonical SMILES for N-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline is CC(C)(C)c1ccc(-c2cccc(Nc3ccccc3-c3ccc(-c4ccccc4)cc3)c2)c2ccccc12.
What is the InChIKey of N-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline?
The InChIKey is HRJZHZIWHHVDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33N/c1-38(2,3)36-25-24-32(34-17-7-8-18-35(34)36)30-14-11-15-31(26-30)39-37-19-10-9-16-33(37)29-22-20-28(21-23-29)27-12-5-4-6-13-27/h4-26,39H,1-3H3.
What are the key properties of N-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline?
N-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline has a molecular weight of 503.69 g/mol, XLogP of 10.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 170181041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).