N-tert-butyl-3-naphthalen-1-yl-N-phenylaniline

C26H25N — CID 177100605

IUPACN-tert-butyl-3-naphthalen-1-yl-N-phenylaniline
SMILESCC(C)(C)N(c1ccccc1)c1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C26H25N/c1-26(2,3)27(22-14-5-4-6-15-22)23-16-9-13-21(19-23)25-18-10-12-20-11-7-8-17-24(20)25/h4-19H,1-3H3
InChIKeySVCRDZLOUWRDME-UHFFFAOYSA-N
MW351.49 g/mol
LogP7.44
Rot. Bonds3

About N-tert-butyl-3-naphthalen-1-yl-N-phenylaniline

N-tert-butyl-3-naphthalen-1-yl-N-phenylaniline (PubChem CID 177100605) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is N-tert-butyl-3-naphthalen-1-yl-N-phenylaniline.

Molecular Properties

Compound NameN-tert-butyl-3-naphthalen-1-yl-N-phenylaniline
PubChem CID177100605
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC NameN-tert-butyl-3-naphthalen-1-yl-N-phenylaniline
SMILESCC(C)(C)N(c1ccccc1)c1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C26H25N/c1-26(2,3)27(22-14-5-4-6-15-22)23-16-9-13-21(19-23)25-18-10-12-20-11-7-8-17-24(20)25/h4-19H,1-3H3
InChIKeySVCRDZLOUWRDME-UHFFFAOYSA-N
XLogP7.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-N,2-diphenylaniline;N-tert-butyl-4-naphthalen-1-yl-N-phenylaniline;N-tert-butyl-4-naphthalen-2-yl-N-phenylaniline;N-tert-butyl-3-phenyl-N-(3-phenylphenyl)aniline;N-naphthalen-1-yl-N-propan-2-ylnaphthalen-1-amine
CID 159661988
N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline
CID 167323754
N-tert-butyl-4-phenanthren-9-yl-N-phenylaniline
CID 177100651
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167324300
3-naphthalen-1-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 166566666
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790646
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588104

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-naphthalen-1-yl-N-phenylaniline?
The IUPAC name of N-tert-butyl-3-naphthalen-1-yl-N-phenylaniline (CID 177100605) is N-tert-butyl-3-naphthalen-1-yl-N-phenylaniline.
What is the SMILES notation for N-tert-butyl-3-naphthalen-1-yl-N-phenylaniline?
The canonical SMILES for N-tert-butyl-3-naphthalen-1-yl-N-phenylaniline is CC(C)(C)N(c1ccccc1)c1cccc(-c2cccc3ccccc23)c1.
What is the InChIKey of N-tert-butyl-3-naphthalen-1-yl-N-phenylaniline?
The InChIKey is SVCRDZLOUWRDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N/c1-26(2,3)27(22-14-5-4-6-15-22)23-16-9-13-21(19-23)25-18-10-12-20-11-7-8-17-24(20)25/h4-19H,1-3H3.
What are the key properties of N-tert-butyl-3-naphthalen-1-yl-N-phenylaniline?
N-tert-butyl-3-naphthalen-1-yl-N-phenylaniline has a molecular weight of 351.49 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-naphthalen-1-yl-N-phenylaniline is sourced from PubChem (CID 177100605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).