N-tert-butyl-N,2,4-triphenylaniline

C28H27N — CID 164781351

IUPACN-tert-butyl-N,2,4-triphenylaniline
SMILESCC(C)(C)N(c1ccccc1)c1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C28H27N/c1-28(2,3)29(25-17-11-6-12-18-25)27-20-19-24(22-13-7-4-8-14-22)21-26(27)23-15-9-5-10-16-23/h4-21H,1-3H3
InChIKeyZSWBDOYNTMKAMI-UHFFFAOYSA-N
MW377.53 g/mol
LogP7.96
Rot. Bonds4

About N-tert-butyl-N,2,4-triphenylaniline

N-tert-butyl-N,2,4-triphenylaniline (PubChem CID 164781351) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is N-tert-butyl-N,2,4-triphenylaniline.

Molecular Properties

Compound NameN-tert-butyl-N,2,4-triphenylaniline
PubChem CID164781351
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC NameN-tert-butyl-N,2,4-triphenylaniline
SMILESCC(C)(C)N(c1ccccc1)c1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C28H27N/c1-28(2,3)29(25-17-11-6-12-18-25)27-20-19-24(22-13-7-4-8-14-22)21-26(27)23-15-9-5-10-16-23/h4-21H,1-3H3
InChIKeyZSWBDOYNTMKAMI-UHFFFAOYSA-N
XLogP7.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 177100139
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
CID 157245116
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
2,4-diphenyl-N,N-di(propan-2-yl)aniline
CID 164746204
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
CID 121322799
N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline
CID 156627571
N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 177100109
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
N-(3-ethylphenyl)-N,2,4-triphenylaniline
CID 20734354
N,2,4-triphenyl-N-[4-(6-phenylpyren-1-yl)phenyl]aniline
CID 118012236

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,2,4-triphenylaniline?
The IUPAC name of N-tert-butyl-N,2,4-triphenylaniline (CID 164781351) is N-tert-butyl-N,2,4-triphenylaniline.
What is the SMILES notation for N-tert-butyl-N,2,4-triphenylaniline?
The canonical SMILES for N-tert-butyl-N,2,4-triphenylaniline is CC(C)(C)N(c1ccccc1)c1ccc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of N-tert-butyl-N,2,4-triphenylaniline?
The InChIKey is ZSWBDOYNTMKAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N/c1-28(2,3)29(25-17-11-6-12-18-25)27-20-19-24(22-13-7-4-8-14-22)21-26(27)23-15-9-5-10-16-23/h4-21H,1-3H3.
What are the key properties of N-tert-butyl-N,2,4-triphenylaniline?
N-tert-butyl-N,2,4-triphenylaniline has a molecular weight of 377.53 g/mol, XLogP of 7.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,2,4-triphenylaniline is sourced from PubChem (CID 164781351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).