N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline

C34H31N — CID 177100139

IUPACN-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline
SMILESCC(C)(C)N(c1cccc(-c2ccccc2)c1)c1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C34H31N/c1-34(2,3)35(31-21-13-20-29(24-31)26-14-7-4-8-15-26)33-23-22-30(27-16-9-5-10-17-27)25-32(33)28-18-11-6-12-19-28/h4-25H,1-3H3
InChIKeyXNBDIMIONWFHEJ-UHFFFAOYSA-N
MW453.63 g/mol
LogP9.62
Rot. Bonds5

About N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline

N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline (PubChem CID 177100139) has the molecular formula C34H31N and a molecular weight of 453.63 g/mol. Its IUPAC name is N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline
PubChem CID177100139
Molecular FormulaC34H31N
Molecular Weight453.63 g/mol
Exact Mass453.25
IUPAC NameN-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline
SMILESCC(C)(C)N(c1cccc(-c2ccccc2)c1)c1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C34H31N/c1-34(2,3)35(31-21-13-20-29(24-31)26-14-7-4-8-15-26)33-23-22-30(27-16-9-5-10-17-27)25-32(33)28-18-11-6-12-19-28/h4-25H,1-3H3
InChIKeyXNBDIMIONWFHEJ-UHFFFAOYSA-N
XLogP9.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-N,2,4-triphenylaniline
CID 164781351
4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
CID 157245116
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
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-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 156627701
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
N-(3-ethylphenyl)-N,2,4-triphenylaniline
CID 20734354
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-3-naphthalen-1-yl-N-phenylaniline
CID 177100605
1-N,3-N,4,6-tetraphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 118603843

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline?
The IUPAC name of N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline (CID 177100139) is N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline is CC(C)(C)N(c1cccc(-c2ccccc2)c1)c1ccc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline?
The InChIKey is XNBDIMIONWFHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N/c1-34(2,3)35(31-21-13-20-29(24-31)26-14-7-4-8-15-26)33-23-22-30(27-16-9-5-10-17-27)25-32(33)28-18-11-6-12-19-28/h4-25H,1-3H3.
What are the key properties of N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline?
N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline has a molecular weight of 453.63 g/mol, XLogP of 9.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 177100139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).